SCHEMBL56519

SCHEMBL56519

O=[N+]([O-])c1ccc(Cl)nc1Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.63
NTRK1 P04629 1/20 0.62
PIK3C3 Q8NEB9 1/20 0.55
MAPT P10636 1/20 0.46
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
FGFR4 P22455 1/20 0.45
CCNA1 P78396 1/20 0.44

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
SCHEMBL56620 0.84 IGF1R (0.69) IGF1RNTRK1PIK3C3
SCHEMBL2570591 0.82 IGF1R (0.59) IGF1RNTRK1PIK3C3CCNA2CDK2
SCHEMBL3767761 0.81 FGFR4 (0.45) IGF1RNTRK1PIK3C3MAPTFGFR4
SCHEMBL3719662 0.80 AURKA (0.53) NTRK1PIK3C3MAPTFGFR4
SCHEMBL4696486 0.78 NTRK1 (0.70) IGF1RNTRK1CDK2
SCHEMBL57094 0.78 IGF1R (0.62) IGF1RNTRK1PIK3C3
SCHEMBL1164503 0.77 IGF1R (0.66) IGF1RNTRK1CCNA2CDK2
SCHEMBL56941 0.77 NTRK1 (0.60) IGF1RNTRK1PIK3C3CCNA2CDK2
SCHEMBL13054545 0.77 NTRK1 (0.55) IGF1RNTRK1PIK3C3
SCHEMBL2634350 0.77 NTRK1 (1.00) IGF1RNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2383268-B1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2015-09-02 EP disclosed
US-20150011545-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2015-01-08 US disclosed
US-8835465-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2014-09-16 US disclosed
US-20140155394-A1 Chemical Compounds - 759 ASTRAZENECA AB (SE) 2014-06-05 US disclosed
US-8486966-B2 9-(pyrazol-3-yl)-9H-purine-2-amine and 3-(pyrazol-3-yl) -3H-imidazo[4,5-B] pyridin-5-amine derivatives and their use for the treatment of cancer ASTRAZENECA AB (SE) 2013-07-16 US disclosed
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2013-04-11 US disclosed
CN-101119988-B Chemical compound ASTRAZENECA AB 2013-03-06 CN disclosed
US-8324252-B2 Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2012-12-04 US disclosed
CN-101155800-B Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB 2012-05-23 CN disclosed
US-20120122892-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-05-17 US disclosed
CN-101679426-A 9- (pyrazol-3-yl) -9H-purin-2-amine and 3- (pyrazol-3-yl) -3H-imidazo [4, 5-b ] pyridin-5-amine derivatives and their use to treat cancer ASTRAZENECA AB 2010-03-24 CN disclosed
EP-2152705-A1 9- (PYRAZOL- 3 -YL) - 9H- PURINE-2 -AMINE AND 3- (PYRAZ0L-3-YL) -3H-IMIDAZ0 [4, 5-B]PYRIDIN-5-AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER AstraZeneca AB (SE) 2010-02-17 EP disclosed
WO-2008135785-A1 9- (PYRAZOL- 3 -YL) - 9H- PURINE-2 -AMINE AND 3- (PYRAZ0L-3-YL) -3H-IMIDAZ0 [4, 5-B] PYRIDIN-5-AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
US-20080176872-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-07-24 US disclosed
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 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
CN-101155800-A Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB (SE) 2008-04-02 CN disclosed
CN-101119988-A Chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN disclosed
EP-1853588-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2007-11-14 EP disclosed
WO-2006087530-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-24 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 (6 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-20080176872-A1 Chemical Compounds TP53, XPOT, KRAS IGF1R 3024/4885NTRK1 4732/4885PIK3C3 3610/4885
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 IGF1R 132/4885NTRK1 86/4885PIK3C3 565/4885
US-20130090358-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP4K2, MAP3K2 IGF1R 748/4885NTRK1 1107/4885PIK3C3 417/4885
US-20120122892-A1 CHEMICAL COMPOUNDS TP53, XPOT, KRAS IGF1R 2806/4885NTRK1 4681/4885PIK3C3 3424/4885
US-20150011545-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L IGF1R 4085/4885NTRK1 4667/4885PIK3C3 538/4885
US-20140155394-A1 Chemical Compounds - 759 MCL1, BCL9, BCL9L IGF1R 4085/4885NTRK1 4667/4885PIK3C3 538/4885

“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.