SCHEMBL2268065

SCHEMBL2268065

COc1ccc(CNC(=O)Nc2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PARP1 P09874 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL2364408 0.92 MAPK1 (0.44) NPC1RAB9AROCK2ROCK1SMN1; SMN2
SCHEMBL2271983 0.87 PARP1 (0.41) NPC1RAB9ASMN1; SMN2PARP1MAPT
SCHEMBL13274745 0.86 PARP1 (0.40) ROCK2ROCK1SMN1; SMN2PARP1MEN1
SCHEMBL2265122 0.86 PARP1 (0.38) PARP1MAPTTSHR
SCHEMBL13274738 0.85 PARP1 (0.50) RAB9APARP1MAPTPOLBTSHR
SCHEMBL13465733 0.85 MET (0.40) PARP1
SCHEMBL2223335 0.84 NPY1R (0.39) NPC1RAB9ASMN1; SMN2PARP1POLB
SCHEMBL13274515 0.84 PARP1 (0.45) PARP1MEN1KMT2AHTTHSD17B10
SCHEMBL165695 0.83 PARP1 (0.40) NPC1RAB9APARP1MEN1KMT2A
SCHEMBL12517697 0.83 PARP1 (0.38) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP 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
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (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 NPC1 3559/4885RAB9A 2525/4885ROCK2 209/4885

“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.