SCHEMBL2271983

SCHEMBL2271983

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
KCNH2 Q12809 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
TSHR P16473 1/20 0.38
MET P08581 1/20 0.38
AURKA O14965 1/20 0.38
ALK Q9UM73 1/20 0.38
MAPK1 P28482 2/20 0.38
BRD4 O60885 1/20 0.37
CCKBR P32239 1/20 0.37
KDR P35968 2/20 0.36
FGFR3 P22607 1/20 0.36

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
SCHEMBL13274738 0.93 PARP1 (0.50) PARP1HTR1AHTR1DHTR1BTSHR
SCHEMBL2265122 0.92 PARP1 (0.38) PARP1TSHRMETAURKAALK
SCHEMBL13274515 0.91 PARP1 (0.45) PARP1MAPK1
SCHEMBL2364408 0.91 MAPK1 (0.44) PARP1TSHRMAPK1KDRNPC1
SCHEMBL2223335 0.90 NPY1R (0.39) PARP1TSHRAURKAALKMAPK1
SCHEMBL2365347 0.89 PARP1 (0.47) PARP1HTR1AHTR1DHTR1BMET
SCHEMBL13274745 0.89 PARP1 (0.40) PARP1TSHRMETAURKAMAPK1
SCHEMBL165695 0.89 PARP1 (0.40) PARP1METNPC1RAB9AJAK1
SCHEMBL12517697 0.89 PARP1 (0.38) PARP1METAURKAALKJAK1
SCHEMBL2269942 0.88 SMN1; SMN2 (0.45) CCKBRKDRFGFR3MAPTNPC1

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 2307/4885KCNH2 4408/4885HTR1A 2757/4885

“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.