SCHEMBL5029672

SCHEMBL5029672

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c([N+](=O)[O-])cc2F)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 10/20 0.53
JAK2 O60674 4/20 0.52
JAK3 P52333 4/20 0.52
LIMK1 P53667 1/20 0.52
LIMK2 P53671 1/20 0.52
GRK6 P43250 6/20 0.40
AURKA O14965 2/20 0.40
MUSK O15146 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
FGFR3 P22607 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
FLT3 P36888 1/20 0.39
PTK2B Q14289 1/20 0.39

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
SCHEMBL3137771 0.91 NTRK1 (0.54) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4748708 0.89 NTRK1 (0.54) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL3129884 0.89 NTRK1 (0.61) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL3025255 0.88 JAK3 (0.54) NTRK1JAK2JAK3GRK6AURKA
SCHEMBL3139815 0.87 JAK2 (0.68) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL3013235 0.86 JAK2 (0.48) NTRK1JAK2JAK3GRK6AURKA
SCHEMBL2561721 0.86 NTRK1 (0.70) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL2561716 0.86 NTRK1 (0.70) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4697054 0.84 NTRK1 (0.54) NTRK1JAK2JAK3GRK6AURKA
SCHEMBL3124552 0.83 NTRK1 (0.76) NTRK1JAK2JAK3LIMK1LIMK2

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 5 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 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
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

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 NTRK1 86/4885JAK2 341/4885JAK3 697/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 NTRK1 1107/4885JAK2 226/4885JAK3 263/4885
US-20080108669-A1 Use 541 TRPV1, P2RX3, P2RX5 NTRK1 3837/4885JAK2 1797/4885JAK3 2868/4885

“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.