SCHEMBL984619

SCHEMBL984619

Nc1ncc(Br)cc1-c1nnsc1-c1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.40
FYN P06241 2/20 0.40
KDM4E B2RXH2 2/20 0.37
MAP4K4 O95819 4/20 0.36
TDO2 P48775 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
USP7 Q93009 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ADORA2A P29274 2/20 0.33
ATR Q13535 2/20 0.33
DPP4 P27487 1/20 0.33
ADORA1 P30542 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL29857829 0.80 CHEK2 (0.53) CHEK2FYNKDM4EMAP4K4KMT2A
SCHEMBL26917180 0.80 CHEK2 (0.53) CHEK2FYNKDM4EMAP4K4KMT2A
SCHEMBL984145 0.79 USP7 (0.34) MAP4K4KMT2AMEN1USP7HTT
SCHEMBL982354 0.76 MAPK1 (0.39) KMT2AMEN1USP7HTT
SCHEMBL19721378 0.67 KMT2A (0.47) FYNKDM4EMAP4K4KMT2AMEN1
SCHEMBL15359055 0.67 USP7 (0.60) CHEK2FYNMAP4K4KMT2AMEN1
SCHEMBL12488725 0.66 CHEK2 (0.52) CHEK2FYNKDM4EMAP4K4KMT2A
SCHEMBL4470993 0.66 CHEK2 (0.56) CHEK2FYNKDM4EMAP4K4KMT2A
SCHEMBL1367349 0.65 HTT (0.44) CHEK2FYNMAP4K4KMT2AUSP7
SCHEMBL11946789 0.65 FYN (0.46) CHEK2FYNMAP4K4MEN1USP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP 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 CHEK2 134/4885FYN 392/4885KDM4E 1069/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CHEK2 134/4885FYN 392/4885KDM4E 1069/4885

“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.