SCHEMBL2365347

SCHEMBL2365347

CCC(=O)Nc1cccc(Cc2nn(-c3cnn(C)c3)ccc2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.47
HPGD P15428 3/20 0.38
MAPK1 P28482 1/20 0.38
JAK3 P52333 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
NR4A1 P22736 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
GLA P06280 1/20 0.38
MET P08581 1/20 0.37
GAA P10253 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL2361582 0.93 PARP1 (0.49) PARP1JAK3POLBGLAGAA
SCHEMBL13274893 0.91 HTR1A (0.44) PARP1HPGDMAPK1RAB9APOLB
SCHEMBL165695 0.90 PARP1 (0.40) PARP1JAK3RAB9APOLBSIRT2
SCHEMBL12517697 0.90 PARP1 (0.38) PARP1JAK3MET
SCHEMBL2265122 0.90 PARP1 (0.38) PARP1MAPK1JAK3MET
SCHEMBL13274849 0.89 PARP1 (0.49) PARP1HPGDRAB9AGAAALDH1A1
SCHEMBL2271983 0.89 PARP1 (0.41) PARP1MAPK1JAK3RAB9AMET
SCHEMBL13465733 0.89 MET (0.40) PARP1JAK3SIRT2METHTR1A
SCHEMBL2267780 0.89 MET (0.38) PARP1HPGDRAB9ASIRT2MET
SCHEMBL13465435 0.88 PARP1 (0.49) PARP1HPGDMAPK1JAK3SIRT2

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 PARP1 2307/4885HPGD 4061/4885MAPK1 342/4885

“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.