SCHEMBL422361

SCHEMBL422361

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)c(C#N)cc2F)n[nH]1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.77
NTRK1 P04629 6/20 0.77
CDK2 P24941 3/20 0.77
LCK P06239 2/20 0.77
RET P07949 2/20 0.77
FLT3 P36888 2/20 0.77
MUSK O15146 1/20 0.77
FGFR3 P22607 1/20 0.77
CCNE1 P24864 1/20 0.77
PTK2B Q14289 1/20 0.77
JAK2 O60674 15/20 0.58
AURKB Q96GD4 2/20 0.58
STAT5B P51692 1/20 0.58
LIMK1 P53667 1/20 0.58
LIMK2 P53671 1/20 0.58
AURKA O14965 3/20 0.45
NTRK3 Q16288 2/20 0.45
NTRK2 Q16620 2/20 0.45
FYN P06241 1/20 0.45
IGF1R P08069 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL422468 1.00 JAK3 (0.77) JAK3NTRK1CDK2LCKRET
SCHEMBL23217032 0.90 JAK3 (0.62) JAK3NTRK1CDK2LCKRET
SCHEMBL3420176 0.90 JAK3 (0.62) JAK3NTRK1CDK2LCKRET
SCHEMBL30009943 0.90 JAK3 (0.62) JAK3NTRK1CDK2LCKRET
SCHEMBL2513814 0.88 JAK3 (0.59) JAK3NTRK1CDK2LCKRET
SCHEMBL10027491 0.87 JAK3 (0.58) JAK3NTRK1CDK2LCKRET
SCHEMBL31061147 0.87 JAK3 (1.00) JAK3NTRK1CDK2LCKRET
SCHEMBL14840663 0.87 JAK3 (1.00) JAK3NTRK1CDK2LCKRET
SCHEMBL14840664 0.87 JAK3 (1.00) JAK3NTRK1CDK2LCKRET
SCHEMBL2486709 0.87 JAK3 (0.75) JAK3NTRK1CDK2LCKRET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045895-A1 PHARMACEUTICAL DEPOT FOR 5-FLUORO-2-[[(1S)-1-(5-FLUORO-2-PYRIDYL)ETHYL]AMINO]-6-[(5-ISOPROPOXY-1H-PYRAZOL-3-YL)AMINO]PYRIDINE-3-CARBONITRILE ASTRAZENECA AB (SE) 2014-02-13 US claimed
US-8324252-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2012-12-04 US claimed
US-20120022110-A1 PHARMACEUTICAL DEPOT FOR 5-FLUORO-2-[[(1S)-1-(5-FLUORO-2-PYRIDYL)ETHYL]AMINO]-6-[(5-ISOPROPOXY-1H-PYRAZOL-3-YL)AMINO]PYRIDINE-3-CARBONITRILE ASTRAZENECA AB (SE) 2012-01-26 US claimed
EP-1846394-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-10-26 EP claimed
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases ASTRAZENECA AB (SE) 2008-06-12 US claimed
US-20080108669-A1 Use 541 ASTRAZENECA AB (SE) 2008-05-08 US claimed
US-20240158756-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2024-05-16 US disclosed
CN-114945378-A Feeder-layer and feeder-layer-free stem cell culture systems for stratified epithelial stem cells and uses related thereto 休斯敦大学体系 2022-08-26 CN disclosed
US-20210164055-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME ARRAY BIOPHARMA, INC. 2021-06-03 US disclosed
US-10907215-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same LOXO ONCOLOGY, INC. (US) 2021-02-02 US disclosed
US-10724102-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same LOXO ONCOLOGY, INC. (US) 2020-07-28 US disclosed
US-10655186-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same LOXO ONCOLOGY, INC. (US) 2020-05-19 US disclosed
US-10378068-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same LOXO ONCOLOGY, INC. (US) 2019-08-13 US disclosed
US-20120022110-A1 PHARMACEUTICAL DEPOT FOR 5-FLUORO-2-[[(1S)-1-(5-FLUORO-2-PYRIDYL)ETHYL]AMINO]-6-[(5-ISOPROPOXY-1H-PYRAZOL-3-YL)AMINO]PYRIDINE-3-CARBONITRILE ASTRAZENECA AB (SE) 2012-01-26 US disclosed
US-20120022110-A1 PHARMACEUTICAL DEPOT FOR 5-FLUORO-2-[[(1S)-1-(5-FLUORO-2-PYRIDYL)ETHYL]AMINO]-6-[(5-ISOPROPOXY-1H-PYRAZOL-3-YL)AMINO]PYRIDINE-3-CARBONITRILE ASTRAZENECA AB (SE) 2012-01-26 US disclosed
US-20120022110-A1 PHARMACEUTICAL DEPOT FOR 5-FLUORO-2-[[(1S)-1-(5-FLUORO-2-PYRIDYL)ETHYL]AMINO]-6-[(5-ISOPROPOXY-1H-PYRAZOL-3-YL)AMINO]PYRIDINE-3-CARBONITRILE ASTRAZENECA AB (SE) 2012-01-26 US disclosed
US-20120022110-A1 PHARMACEUTICAL DEPOT FOR 5-FLUORO-2-[[(1S)-1-(5-FLUORO-2-PYRIDYL)ETHYL]AMINO]-6-[(5-ISOPROPOXY-1H-PYRAZOL-3-YL)AMINO]PYRIDINE-3-CARBONITRILE ASTRAZENECA AB (SE) 2012-01-26 US disclosed
EP-2164490-A1 PYRAZOLYL DERIVATIVES WITH ANALGESIC ACTIVITY AND THEREFORE USEFUL IN THE TREATMENT OR PROPHYLAXIS OF PAIN. AstraZeneca AB (SE) 2010-03-24 EP disclosed
WO-2008054292-A1 PYRAZOLYL DERIVATIVES WITH ANALGESIC ACTIVITY AND THEREFORE USEFUL IN THE TREATMENT OR PROPHYLAXIS OF PAIN. ASTRAZENECA AB (SE) 2008-05-08 WO disclosed
US-20080108669-A1 Use 541 ASTRAZENECA AB (SE) 2008-05-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080139561-A1 e.g. 6-(5-Cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoro-2-(1-(4-fluorophenyl)ethylamino) nicotinonitrile; tropomyosin-related kinases (Trk's) inhibitor; anticarcinogenic agent; hormone related cancer, leukemia; antiinflammatory agent; arthritis, restenosis; autoimmune diseases CNKSR1, LTK, MUSK JAK3 697/4885NTRK1 86/4885CDK2 113/4885
US-10907215-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 JAK3 1275/4885NTRK1 2/4885CDK2 829/4885
US-20210164055-A1 POINT MUTATIONS IN TRK INHIBITOR-RESISTANT CANCER AND METHODS RELATING TO THE SAME NTRK3, NTRK1, NTRK2 JAK3 1324/4885NTRK1 2/4885CDK2 830/4885
US-20120022110-A1 PHARMACEUTICAL DEPOT FOR 5-FLUORO-2-[[(1S)-1-(5-FLUORO-2-PYRIDYL)ETHYL]AMINO]-6-[(5-ISOPROPOXY-1H-PYRAZOL-3-YL)AMINO]PYRIDINE-3-CARBONITRILE PNN, PCNP, PCK1 JAK3 1295/4885NTRK1 3329/4885CDK2 2205/4885
US-10655186-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 JAK3 1324/4885NTRK1 2/4885CDK2 830/4885
US-10378068-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 JAK3 1324/4885NTRK1 2/4885CDK2 830/4885
US-20080108669-A1 Use 541 TRPV1, P2RX3, P2RX5 JAK3 2868/4885NTRK1 3837/4885CDK2 4346/4885
US-10724102-B2 Point mutations in TRK inhibitor-resistant cancer and methods relating to the same NTRK3, NTRK1, NTRK2 JAK3 1324/4885NTRK1 2/4885CDK2 830/4885
US-20140045895-A1 PHARMACEUTICAL DEPOT FOR 5-FLUORO-2-[[(1S)-1-(5-FLUORO-2-PYRIDYL)ETHYL]AMINO]-6-[(5-ISOPROPOXY-1H-PYRAZOL-3-YL)AMINO]PYRIDINE-3-CARBONITRILE PNN, PCNP, PCK1 JAK3 1295/4885NTRK1 3329/4885CDK2 2205/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.