SCHEMBL499678

SCHEMBL499678

COc1c[c]cc(OC)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
S1PR4 O95977 1/20 0.34
HSP90AA1 P07900 1/20 0.34
G6PD P11413 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL2282004 0.87 GAA (0.35) CA12CA1CA2CA4CA7
SCHEMBL2284733 0.85 PDE3B (0.32) KDM4EMAPTS1PR4HSP90AA1G6PD
SCHEMBL2286343 0.84 TAAR1 (0.32) HTR2AHTR2CHTR2B
SCHEMBL2286239 0.84 POLB (0.34) MAPTNPSR1
SCHEMBL2291144 0.79 HTR2A (0.34) MAPTGAAHTR2AHTR2C
SCHEMBL27743262 0.79 TAAR1 (0.37) GAANPC1HTR2AHTR2CHTR2B
SCHEMBL943527 0.75 ALDH1A1 (0.37) CA9KDM4EMAPTS1PR4HSP90AA1
SCHEMBL2289162 0.75 GAA (0.34) KDM4EMAPTS1PR4HSP90AA1G6PD
SCHEMBL76231 0.74 ACHE (0.48) CA12CA1CA2CA4CA7
SCHEMBL312352 0.74 CA12 (0.36) CA12CA1CA2CA4CA7

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 145 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110354128-A Pyrimidine FGFR4 inhibitors 卫材R&D管理有限公司 2019-10-22 CN claimed
CN-109803684-A Combination therapy for the treatment of hepatocellular carcinoma 卫材 R&D 管理有限公司 2019-05-24 CN claimed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 EP claimed
CN-109718239-A For treating the FGFR inhibitor of low-phosphorous hemorrhagic disease 诺华股份有限公司 2019-05-07 CN claimed
CN-109476672-A NOVEL HETEROCYCLIC DERIVATIVE COMPOUND AND USE THEREOF 韩美药品株式会社 2019-03-15 CN claimed
CN-104710385-B PDE10 inhibitor and compositions related and method 奥默罗斯公司 2018-11-09 CN claimed
US-10106516-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-10-23 US claimed
CN-108348519-A Chlorobenzene-substituted azaaryl compounds 台北医学大学 2018-07-31 CN claimed
CN-106459034-B Carbostyril derivative as fibroblast growth factor acceptor inhibitor 普林斯匹亚生物制药公司 2018-01-12 CN claimed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 US claimed
CN-106459034-A Quinolone derivatives as fibroblast growth factor receptor inhibitors 普林斯匹亚生物制药公司 2017-02-22 CN claimed
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2013-08-01 US claimed
EP-2544679-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS Omeros Corporation (US) 2013-01-16 EP claimed
US-8343970-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-01-01 US claimed
CN-102741256-A Bicyclic heteroaryl derivatives having inhibitory activity for protein kinase HANMI PHARM IND CO LTD 2012-10-17 CN claimed
WO-2011112828-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 WO claimed
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-09-15 US claimed
EP-0888303-B1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD PHARMA INC (US) 2010-04-21 EP claimed
EP-0888303-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-01-07 EP claimed
WO-1997031898-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-10106516-B2 PDE10 inhibitors and related compositions and methods PDE10A, PDE9A, PDE7A CA12 1180/4885CA1 160/4885CA2 788/4885
US-20130196994-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A CA12 1180/4885CA1 160/4885CA2 788/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A CA12 1180/4885CA1 160/4885CA2 788/4885
US-20110224202-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A CA12 1180/4885CA1 160/4885CA2 788/4885

“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.