SCHEMBL9103871

SCHEMBL9103871

NC(=O)c1cn[nH]c(=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
PTGS1 P23219 1/20 0.41
NNMT P40261 5/20 0.39
PTK2 Q05397 2/20 0.37
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
LTK P29376 1/20 0.37
KDR P35968 1/20 0.37
MAP2K2 P36507 1/20 0.37
FLT3 P36888 1/20 0.37
CSNK1A1 P48729 1/20 0.37
PRKX P51817 1/20 0.37
CDK5 Q00535 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
SCHEMBL2805091 0.81 PTGS1 (0.46) PTGS1POLBPARP1TSHR
SCHEMBL2896682 0.79 KDM4E (0.47) PTGS1POLBCYP3A4MAPTCYP2C19
SCHEMBL4186879 0.76 PTGS1 (0.37) PDPK1PTGS1ROCK1TSHR
SCHEMBL19418460 0.75 PTGS1 (0.39) PTGS1
SCHEMBL3979828 0.75 ATM (0.49) PTGS1SMN1; SMN2POLBPARP1TSHR
SCHEMBL26334621 0.75 PTGS1 (0.39) PTGS1MAP4K4ROCK1CLK4
SCHEMBL26346889 0.71 XDH (0.44) SMN1; SMN2MAPTHSD17B10HPGDS
SCHEMBL29511927 0.71 NAMPT (0.44) PDPK1NNMTPTK2PLK4CHEK1
SCHEMBL160863 0.71 NAMPT (0.44) PDPK1NNMTPTK2PLK4CHEK1
SCHEMBL2414968 0.70 SMYD3 (0.47) SMN1; SMN2TSHRL3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119899188-A METTL3 inhibitors 杭州邦顺制药有限公司 2025-04-29 CN disclosed
EP-2539323-B3 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2017-10-04 EP disclosed
CN-103980258-B Compounds as bradykinin B1 antagonists 贝林格尔.英格海姆国际有限公司 2016-09-07 CN disclosed
CN-103980258-A Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-08-13 CN disclosed
CN-102781916-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-06-25 CN disclosed
US-8372838-B2 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-12 US disclosed
CN-102781916-A Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2012-11-14 CN disclosed
US-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142695-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, EDNRB PDPK1 3001/4885PTGS1 182/4885NNMT 2632/4885

“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.