SCHEMBL2220139

SCHEMBL2220139

CC(=O)Nc1cccc(Cc2nn(-c3ccccc3)ccc2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.53
TSHR P16473 3/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
ELOVL1 Q9BW60 1/20 0.44
CYP2C9 P11712 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL13274891 0.91 ELOVL1 (0.45) PARP1TSHRMAPTHTTHSD17B10
SCHEMBL2221721 0.87 PARP1 (0.47) PARP1TSHRMAPTHTTHSD17B10
SCHEMBL13465931 0.86 PARP1 (0.56) PARP1MAPTHSD17B10MEN1KMT2A
SCHEMBL13275323 0.83 PARP1 (0.41) PARP1HTTMEN1KMT2ALMNA
SCHEMBL13274775 0.83 PARP1 (0.39) PARP1MAPTNPSR1MEN1KMT2A
SCHEMBL13505233 0.83 MEN1 (0.41) PARP1MAPTMEN1KMT2AALDH1A1
SCHEMBL13505160 0.82 FPR1 (0.46) PARP1MEN1KMT2AGAAALDH1A1
SCHEMBL13274945 0.82 MEN1 (0.41) PARP1MAPTMEN1KMT2ALMNA
SCHEMBL13274694 0.81 HTR1A (0.42) PARP1TSHRMAPTL3MBTL1MEN1
SCHEMBL2349943 0.81 ELOVL1 (0.44) PARP1TSHRMAPTHTTHSD17B10

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
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
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 PARP1 2307/4885TSHR 1264/4885MAPT 2313/4885

“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.