SCHEMBL691926

SCHEMBL691926

Cc1cc(Nc2cc(Nc3c(F)cccc3C#N)c(Cl)cn2)n(C(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.52
MAP3K8 P41279 5/20 0.36
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
SRC P12931 4/20 0.32
MAPK1 P28482 1/20 0.32
RPS6KA1 Q15418 1/20 0.32
EGFR P00533 3/20 0.31
JAK3 P52333 1/20 0.31
LRRK2 Q5S007 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ERBB2 P04626 1/20 0.31

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
SCHEMBL691468 0.86 PTK2 (0.63) PTK2KCNJ6KCNJ5KCNJ3SRC
SCHEMBL691927 0.84 GAA (0.37) PTK2MAP3K8SRCMAPK1RPS6KA1
SCHEMBL691450 0.83 PTK2 (0.54) PTK2KCNJ6KCNJ5KCNJ3MAPK1
SCHEMBL690025 0.81 PTK2 (0.55) PTK2KCNJ6KCNJ5KCNJ3SRC
SCHEMBL691073 0.72 GAA (0.46) PTK2MAP3K8SRCJAK3LRRK2
SCHEMBL691389 0.72 PTK2 (0.64) PTK2KCNJ6KCNJ5KCNJ3MAPK1
SCHEMBL1292984 0.70 PTK2 (0.65) PTK2KCNJ6KCNJ5KCNJ3MAPK1
SCHEMBL1292954 0.70 PTK2 (0.65) PTK2KCNJ6KCNJ5KCNJ3MAPK1
SCHEMBL691083 0.69 PTK2 (0.66) PTK2KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL689984 0.69 PTK2 (0.64) PTK2KCNJ6KCNJ5KCNJ3MAPK1

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 1/4885MAP3K8 155/4885KCNJ6 939/4885
US-20160095841-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885MAP3K8 155/4885KCNJ6 939/4885
US-20150265589-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885MAP3K8 155/4885KCNJ6 939/4885
US-20100113475-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885MAP3K8 155/4885KCNJ6 939/4885
US-20110207743-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885MAP3K8 155/4885KCNJ6 939/4885
US-20140107131-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885MAP3K8 155/4885KCNJ6 939/4885
US-20140155410-A1 PYRAZOLYLAMINOPYRIDINES AS INHIBITORS OF FAK PTK2, PAK1, CTTN PTK2 1/4885MAP3K8 155/4885KCNJ6 939/4885

“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.