SCHEMBL6862073

SCHEMBL6862073

O=CNc1ccc2cnccc2c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 6/20 0.53
PRMT3 O60678 6/20 0.46
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 2/20 0.46
CYP3A4 P08684 1/20 0.44
GRM4 Q14833 2/20 0.43
CYP19A1 P11511 1/20 0.42

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
SCHEMBL28245363 0.93 IMPDH2 (0.45) IMPDH2PRMT3ROCK2ROCK1CYP3A4
SCHEMBL29069418 0.83 IMPDH2 (0.50) IMPDH2PRMT3ROCK2ROCK1CYP3A4
SCHEMBL27689981 0.82 ALDH1A1 (0.50) CYP3A4
SCHEMBL12298503 0.78 EPHX2 (0.44) CYP3A4
SCHEMBL28152569 0.76 NPC1 (0.41) IMPDH2
SCHEMBL28170955 0.76 NPC1 (0.41) IMPDH2
SCHEMBL29069445 0.76 IMPDH2 (0.43) IMPDH2PRMT3ROCK2ROCK1CYP3A4
SCHEMBL24783504 0.76 IMPDH2 (0.53) IMPDH2PRMT3ROCK2ROCK1CYP3A4
SCHEMBL11143193 0.76 MAPT (0.56) IMPDH2PRMT3ROCK2ROCK1CYP3A4
SCHEMBL14641399 0.75 IMPDH2 (0.53) IMPDH2PRMT3ROCK2ROCK1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105163727-B Stimulate neurogenetic isoquinilone derivatives 豪夫迈·罗氏有限公司 2018-08-17 CN claimed
CN-106458912-A Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics 辉瑞公司 2017-02-22 CN claimed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US claimed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP claimed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
CN-105814040-B The condensed 1,4- dihydro two of inhibitor as thermal excited transcryption factor 1 dislikes ene derivative 癌症研究科技有限公司 2019-07-30 CN disclosed
CN-109310690-A Isoquinolin -3- base benzamide type and its preparation and its purposes 萨穆梅德有限公司 2019-02-05 CN disclosed
CN-109134367-A A kind of compound and application thereof inhibiting ROCK 成都先导药物开发有限公司 2019-01-04 CN disclosed
CN-109153643-A Substituted indole MCL-1 inhibitors 范德比尔特大学 2019-01-04 CN disclosed
CN-105143200-B Serine/threonine kinase inhibitor for treating excess proliferative disease 阵列生物制药公司 2018-10-16 CN disclosed
CN-105163727-B Stimulate neurogenetic isoquinilone derivatives 豪夫迈·罗氏有限公司 2018-08-17 CN disclosed
CN-108203433-A A kind of ROCK inhibitor and its application 成都先导药物开发有限公司 2018-06-26 CN disclosed
CN-107428692-A Substituted monoazanaphthalene derivatives and polyazanaphthalene derivatives and use thereof 巴斯利尔药物国际股份公司 2017-12-01 CN disclosed
CN-106817900-A Novel naphthyridines and isoquinolin and its purposes as CDK8/19 inhibitor 默克专利有限公司 2017-06-09 CN disclosed
CN-106458912-A Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics 辉瑞公司 2017-02-22 CN disclosed
US-6797820-B2 HYDROXAMATE DERIVATIVES THAT INHIBIT PEPTIDYL DEFORMYLASE (PDF), ANTIMICROBIALS AND ANTIBIOTICS VICURON PHARMACEUTICALS INC. 2004-09-28 US disclosed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 EP disclosed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 US disclosed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 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-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA IMPDH2 475/4885PRMT3 2386/4885ROCK2 4138/4885

“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.