SCHEMBL2364227

SCHEMBL2364227

COc1cnc(-c2cccc(Cc3nn(-c4cc(F)c(F)c(F)c4)ccc3=O)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.46
KDR P35968 2/20 0.35
FGFR3 P22607 1/20 0.35
ADORA2A P29274 2/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
BUB1 O43683 1/20 0.33
P2RX7 Q99572 1/20 0.33
ADORA1 P30542 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL13274597 0.91 MET (0.44) METP2RX7
SCHEMBL2264007 0.90 MET (0.49) METKDRHSD17B13P2RX7
SCHEMBL13275033 0.89 MAPK14 (0.36) MET
SCHEMBL2221056 0.88 MET (0.36) METKDRFGFR3HSD17B13
SCHEMBL2269432 0.88 MET (0.39) METKDRFGFR3HSD17B13P2RX7
SCHEMBL13281992 0.87 HSD17B13 (0.39) METHSD17B13
SCHEMBL12517658 0.87 MET (0.45) METKDRFGFR3ADORA2AHSD17B13
SCHEMBL13274940 0.87 MET (0.46) METP2RX7
SCHEMBL13274793 0.85 MET (0.43) METCLK4
SCHEMBL13274795 0.85 MET (0.42) METKDRFGFR3HSD17B13HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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 (1 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 MET 2/4885KDR 131/4885FGFR3 124/4885

“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.