SCHEMBL5565640

SCHEMBL5565640

CC(=O)Nc1ccc(-c2cnc(N)c(-c3nc4cnccc4n3-c3cccc(F)c3F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.45
FYN P06241 2/20 0.43
USP7 Q93009 1/20 0.43
AKT1 P31749 7/20 0.43
CHEK2 O96017 1/20 0.42
AKT2 P31751 6/20 0.41
AKT3 Q9Y243 6/20 0.41
BRAF P15056 1/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
ATR Q13535 2/20 0.39
EGFR P00533 1/20 0.38
SYK P43405 1/20 0.37
CYP2C9 P11712 3/20 0.37
MCHR1 Q99705 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C19 P33261 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
SCHEMBL5570747 0.93 FYN (0.51) FYNUSP7AKT1CHEK2AKT2
SCHEMBL13593424 0.92 FYN (0.44) MAPK10FYNUSP7AKT1CHEK2
SCHEMBL13593438 0.83 AKT1 (0.39) AKT1AKT2AKT3MAPK1
SCHEMBL5566983 0.82 AKT1 (0.46) FYNAKT1CHEK2AKT2AKT3
SCHEMBL5565496 0.82 HRH3 (0.41) AKT1IKBKETBK1MCHR1
SCHEMBL5570593 0.82 RPS6KA5 (0.38) FYNAKT1AKT2AKT3
SCHEMBL5570830 0.80 FYN (0.48) FYN
SCHEMBL984454 0.79 FYN (0.46) FYNUSP7CHEK2IKBKETBK1
SCHEMBL5565437 0.79 CHEK1 (0.41) AKT1AKT2
SCHEMBL11946792 0.79 ACVR1 (0.51) FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPK10 584/4885FYN 392/4885USP7 2086/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 MAPK10 584/4885FYN 392/4885USP7 2086/4885

“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.