SCHEMBL689984

SCHEMBL689984

Cc1cc(Nc2cc(Nc3cc(Cl)ccc3C(=O)O)c(Cl)cn2)n(C(C)C)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.64
KCNJ6 P48051 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
USP2 O75604 1/20 0.41
PABPC1 P11940 1/20 0.41
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NTRK1 P04629 1/20 0.38
RAB9A P51151 2/20 0.38
TRPM4 Q8TD43 1/20 0.37
GRIK1 P39086 2/20 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
SCHEMBL691083 0.92 PTK2 (0.66) PTK2KCNJ6KCNJ5KCNJ3KCNH2
SCHEMBL691572 0.91 PTK2 (0.62) PTK2KCNJ6KCNJ5KCNJ3MEN1
SCHEMBL691295 0.89 PTK2 (0.78) PTK2KCNJ6KCNJ5KCNJ3MEN1
SCHEMBL692459 0.88 PTK2 (0.82) PTK2KCNJ6KCNJ5KCNJ3MEN1
SCHEMBL691389 0.85 PTK2 (0.64) PTK2KCNJ6KCNJ5KCNJ3MAPK3
SCHEMBL689985 0.83 PTK2 (0.45) PTK2MEN1KMT2AUSP2PABPC1
SCHEMBL691542 0.83 PTK2 (0.82) PTK2KCNJ6KCNJ5KCNJ3MAPK3
SCHEMBL691210 0.81 PTK2 (0.62) PTK2KCNJ6KCNJ5KCNJ3MAPK3
SCHEMBL1292984 0.81 PTK2 (0.65) PTK2KCNJ6KCNJ5KCNJ3MAPK3
SCHEMBL691658 0.80 PTK2 (0.82) PTK2KCNJ6KCNJ5KCNJ3MAPK3

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.