SCHEMBL691083

SCHEMBL691083

Cc1cc(Nc2cc(Nc3ccc(Cl)cc3C(=O)O)c(Cl)cn2)n(C(C)C)n1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.66
KCNJ6 P48051 1/20 0.48
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
DHODH Q02127 7/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TGFBR1 P36897 1/20 0.38
ADORA1 P30542 1/20 0.38
MAPT P10636 1/20 0.36
FTO Q9C0B1 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL689984 0.92 PTK2 (0.64) PTK2KCNJ6KCNJ5KCNJ3KCNH2
SCHEMBL691389 0.91 PTK2 (0.64) PTK2KCNJ6KCNJ5KCNJ3DHODH
SCHEMBL691295 0.89 PTK2 (0.78) PTK2KCNJ6KCNJ5KCNJ3MAPT
SCHEMBL691542 0.88 PTK2 (0.82) PTK2KCNJ6KCNJ5KCNJ3MAPT
SCHEMBL691572 0.85 PTK2 (0.62) PTK2KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL691084 0.83 PTK2 (0.47) PTK2DHODHFABP3FABP4KDM4E
SCHEMBL692459 0.83 PTK2 (0.82) PTK2KCNJ6KCNJ5KCNJ3NTRK1
SCHEMBL691658 0.82 PTK2 (0.82) PTK2KCNJ6KCNJ5KCNJ3KCNH2
SCHEMBL690025 0.82 PTK2 (0.55) PTK2KCNJ6KCNJ5KCNJ3KCNH2
SCHEMBL1292954 0.81 PTK2 (0.65) PTK2KCNJ6KCNJ5KCNJ3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446034-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2016-09-20 US disclosed
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2016-04-07 US disclosed
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2015-09-24 US disclosed
US-9012479-B2 Pyrazolylaminopyridines as inhibitors of FAK GLAXOSMITHKLINE LLC (US) 2015-04-21 US disclosed
US-20140155410-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2014-06-05 US disclosed
US-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2014-04-17 US disclosed
EP-2421537-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GlaxoSmithKline LLC (US) 2012-02-29 EP disclosed
US-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-11-03 US disclosed
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2011-08-25 US disclosed
WO-2010062578-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-06-03 WO disclosed
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-05-06 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 (7 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-20110269774-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885KCNJ6 939/4885KCNJ5 630/4885
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885KCNJ6 939/4885KCNJ5 630/4885
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885KCNJ6 939/4885KCNJ5 630/4885
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885KCNJ6 939/4885KCNJ5 630/4885
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885KCNJ6 939/4885KCNJ5 630/4885
US-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885KCNJ6 939/4885KCNJ5 630/4885
US-20140155410-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885KCNJ6 939/4885KCNJ5 630/4885

“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.