SCHEMBL13449331

SCHEMBL13449331

CCOC(=O)Nc1cccc(Cc2nn(-c3cccc(C#N)c3)ccc2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
ADORA2A P29274 1/20 0.42
MET P08581 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
SETD7 Q8WTS6 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL13465659 0.93 HPGD (0.41) PARP1ADORA2AMETMAPTLMNA
SCHEMBL13275332 0.91 KDM4E (0.39) PARP1METMAPTLMNAHSD17B10
SCHEMBL15041955 0.90 PARP1 (0.46) PARP1ADORA2AMETSIRT2MAPT
SCHEMBL13275070 0.89 PARP1 (0.39) PARP1METMAPTKDM4E
SCHEMBL163951 0.89 LMNA (0.44) MAPTLMNAMAPK1HSD17B10KDM4E
SCHEMBL13274814 0.89 PARP1 (0.38) PARP1ADORA2AMETMAPTLMNA
SCHEMBL255591 0.89 RORC (0.40) PARP1SIRT2MAPTLMNAKDM4E
SCHEMBL13465739 0.88 KDM4E (0.38) PARP1METMAPTLMNAHSD17B10
SCHEMBL13465931 0.88 PARP1 (0.56) PARP1METMAPTLMNAMAPK1
SCHEMBL13449427 0.87 PARP1 (0.52) PARP1METMAPTLMNAMAPK1

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 2 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 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 PARP1 2307/4885ADORA2A 2646/4885MET 2/4885

“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.