SCHEMBL6003822

SCHEMBL6003822

Bc1ccc2c(c1)CCNC2=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 13/20 0.64
PARP11 Q9NR21 10/20 0.64
PARP1 P09874 5/20 0.56
PDPK1 O15530 1/20 0.56
GRM5 P41594 5/20 0.54
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL10286762 0.81 CA12 (0.53) PARP10PARP11PARP1GRM5
SCHEMBL1417646 0.78 PARP10 (0.64) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL29978302 0.78 PARP10 (1.00) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL279903 0.78 PARP10 (1.00) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL1315035 0.78 PARP10 (0.74) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL1002712 0.78 PARP10 (1.00) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL15727824 0.78 PARP10 (0.64) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL3152603 0.78 PARP10 (0.64) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL794160 0.78 PARP10 (0.74) PARP10PARP11PARP1PDPK1GRM5
SCHEMBL3946742 0.75 PARP10 (0.60) PARP10PARP11PARP1PDPK1GRM5

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
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
WO-2006034480-A2 SULFONAMIDE BICYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 US disclosed
EP-1294702-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LTD. (GB) 2003-03-26 EP disclosed
WO-2001090084-A1 BENZODIAZEPINE DERIVATIVES AS APP MODULATORS MERCK SHARP & DOHME LIMITED (GB) 2001-11-29 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 (2 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP PARP10 2420/4885PARP11 1487/4885PARP1 3023/4885
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN PARP10 1163/4885PARP11 971/4885PARP1 1615/4885

“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.