SCHEMBL2485537

SCHEMBL2485537

C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)cc1C#N)c1ccc(F)cn1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.77
JAK2 O60674 10/20 0.77
NTRK1 P04629 11/20 0.76
CDK2 P24941 3/20 0.76
MUSK O15146 1/20 0.76
LCK P06239 1/20 0.76
RET P07949 1/20 0.76
FGFR3 P22607 1/20 0.76
CCNE1 P24864 1/20 0.76
FLT3 P36888 1/20 0.76
PTK2B Q14289 1/20 0.76
AURKB Q96GD4 2/20 0.59
STAT5B P51692 1/20 0.59
LIMK1 P53667 1/20 0.57
LIMK2 P53671 1/20 0.57

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
SCHEMBL2485539 1.00 JAK3 (0.77) JAK3JAK2NTRK1CDK2MUSK
SCHEMBL2569557 0.91 JAK3 (0.77) JAK3JAK2NTRK1CDK2MUSK
SCHEMBL2569562 0.91 JAK3 (0.77) JAK3JAK2NTRK1CDK2MUSK
SCHEMBL17044033 0.88 JAK2 (0.74) JAK3JAK2NTRK1CDK2MUSK
SCHEMBL2488532 0.88 JAK2 (0.74) JAK3JAK2NTRK1CDK2MUSK
SCHEMBL2490059 0.87 JAK2 (1.00) JAK3JAK2NTRK1CDK2MUSK
SCHEMBL14840573 0.87 JAK2 (1.00) JAK3JAK2NTRK1CDK2MUSK
SCHEMBL2490060 0.87 JAK2 (1.00) JAK3JAK2NTRK1CDK2MUSK
SCHEMBL14840664 0.86 JAK3 (1.00) JAK3JAK2NTRK1CDK2MUSK
SCHEMBL31061147 0.86 JAK3 (1.00) JAK3JAK2NTRK1CDK2MUSK

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835465-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2014-09-16 US claimed
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-11 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
EP-2383268-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2015-09-02 EP disclosed
US-8835465-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2014-09-16 US disclosed
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-11 US disclosed
US-8324252-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2012-12-04 US disclosed
EP-2383268-A1 Pyrazolylaminopyridine derivatives useful as kinase inhibitors AstraZeneca AB (SE) 2011-11-02 EP disclosed
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 disclosed
US-20080108669-A1 Use 541 ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1846394-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AstraZeneca AB (SE) 2007-10-24 EP disclosed
WO-2006082392-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-10 WO 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 (3 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 697/4885JAK2 341/4885NTRK1 86/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 JAK3 263/4885JAK2 226/4885NTRK1 1107/4885
US-20080108669-A1 Use 541 TRPV1, P2RX3, P2RX5 JAK3 2868/4885JAK2 1797/4885NTRK1 3837/4885

“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.