SCHEMBL2364408

SCHEMBL2364408

Cn1cc(-n2ccc(=O)c(Cc3cccc(NC(=O)NCc4ccccc4)c3)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
AURKB Q96GD4 2/20 0.44
KDR P35968 2/20 0.43
RET P07949 1/20 0.43
TSHR P16473 1/20 0.43
PARP1 P09874 1/20 0.42
KIT P10721 1/20 0.42
DDR1 Q08345 1/20 0.42
DDR2 Q16832 1/20 0.42
RORC P51449 1/20 0.41
NAMPT P43490 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
IMPDH2 P12268 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL2268065 0.92 NPC1 (0.48) TSHRPARP1NAMPTSMN1; SMN2ROCK2
SCHEMBL2271983 0.91 PARP1 (0.41) MAPK1KDRTSHRPARP1SMN1; SMN2
SCHEMBL2265122 0.90 PARP1 (0.38) MAPK1KDRTSHRPARP1KIT
SCHEMBL13274738 0.90 PARP1 (0.50) MAPK1AURKBKDRTSHRPARP1
SCHEMBL165695 0.89 PARP1 (0.40) PARP1NPC1RAB9A
SCHEMBL2223335 0.89 NPY1R (0.39) MAPK1KDRTSHRPARP1SMN1; SMN2
SCHEMBL13274515 0.88 PARP1 (0.45) MAPK1AURKBPARP1
SCHEMBL13274893 0.88 HTR1A (0.44) MAPK1KDRRETPARP1SMN1; SMN2
SCHEMBL13274745 0.87 PARP1 (0.40) MAPK1AURKBTSHRPARP1SMN1; SMN2
SCHEMBL12517697 0.87 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 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
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 MAPK1 342/4885AURKB 316/4885KDR 131/4885

“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.