SCHEMBL4407897

SCHEMBL4407897

Nc1ncc(-c2cnc3ccccc3c2)nc1-c1nncn1-c1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.39
PIK3CD O00329 4/20 0.38
SRC P12931 3/20 0.37
ABL1 P00519 2/20 0.37
EGFR P00533 2/20 0.37
HCK P08631 2/20 0.37
KDR P35968 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CG P48736 2/20 0.37
EPHB4 P54760 2/20 0.37
PRKDC P78527 2/20 0.37
MET P08581 6/20 0.36
LGALS3 P17931 1/20 0.35
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL4407768 0.84 PIK3CA (0.38) ATRPIK3CDSRCABL1EGFR
SCHEMBL4408482 0.84 TYRO3 (0.42) ATRPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4414226 0.84 ATR (0.36) ATR
SCHEMBL4411403 0.83 MAPK1 (0.36) ATRPRKDCMET
SCHEMBL4405780 0.81 ATR (0.47) ATR
SCHEMBL4405969 0.80 ATR (0.52) ATRPIK3CDSRCABL1EGFR
SCHEMBL4414054 0.79 ATR (0.52) ATRPIK3CDSRCABL1EGFR
SCHEMBL4403888 0.79 ATR (0.40) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL4405356 0.79 ATR (0.44) ATRCDK1CDK2MKNK1MKNK2
SCHEMBL4409358 0.78 ATR (0.50) ATRPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN claimed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP claimed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US claimed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 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 (2 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 ATR 1030/4885PIK3CD 262/4885SRC 45/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 ATR 1030/4885PIK3CD 262/4885SRC 45/4885

“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.