SCHEMBL10168733

SCHEMBL10168733

CCc1ccc2c(c1)CCNC2=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP11 Q9NR21 10/20 0.66
▸ PARP10 Q53GL7 13/20 0.63
▸ PARP1 P09874 5/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ GRM5 P41594 6/20 0.50
▸ F7 P08709 1/20 0.46
▸ F3 P13726 1/20 0.46

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
SCHEMBL27446376 0.90 PARP11 (0.55) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL8162850 0.87 PARP10 (0.63) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL25947316 0.83 PARP11 (0.66) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL7901539 0.83 CLK4 (0.49) PARP11PARP10GRM5
SCHEMBL19386434 0.83 PARP11 (0.61) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL20627544 0.83 PARP11 (0.61) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL1725258 0.80 PARP11 (0.58) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL23074494 0.80 PARP11 (0.43) PARP11PARP10PARP1F7F3
SCHEMBL19454258 0.80 PARP11 (1.00) PARP11PARP10PARP1PDPK1GRM5
SCHEMBL27445552 0.78 PARP11 (0.52) PARP11PARP10PARP1PDPK1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 — — US disclosed
US-9896443-B2 Perforin inhibiting benzenesulfonamide compounds, preparation and uses thereof PETER MACCALLUM CANCER INSTITUTE (AU) 2018-02-20 — — US disclosed
US-20150218150-A1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2015-08-06 — — US disclosed
WO-2015073804-A2 METHOD OF BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-05-21 — — WO disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 — — US disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 — — US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
EP-1682537-B1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC (US) 2012-03-28 — — EP disclosed
US-8101778-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-24 — — US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 — — US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 — — US disclosed
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-05 — — 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 (6 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 PARP11 2630/4885PARP10 2961/4885PARP1 2987/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 PARP11 806/4885PARP10 748/4885PARP1 840/4885
US-20150218150-A1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, BAK1 PARP11 1585/4885PARP10 2783/4885PARP1 1558/4885
US-20090036438-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 PARP11 992/4885PARP10 1341/4885PARP1 2786/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 PARP11 1983/4885PARP10 3118/4885PARP1 2958/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PARP11 1721/4885PARP10 1586/4885PARP1 1653/4885

“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.

Send feedback