SCHEMBL6152302

SCHEMBL6152302

Cc1ccc(-c2ccc(C#N)c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.49
IMPDH1 P20839 1/20 0.49
AR P10275 4/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 2/20 0.41
COMT P21964 1/20 0.41
GALR3 O60755 1/20 0.41
GAA P10253 1/20 0.41
LRRK2 Q5S007 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41

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
SCHEMBL23624462 0.98 IMPDH2 (0.47) IMPDH2IMPDH1ARMAOAMAOB
SCHEMBL23624588 0.89 ESR2 (0.46) IMPDH2IMPDH1ARMAOAMAOB
SCHEMBL2350899 0.84 IMPDH2 (0.50) IMPDH2IMPDH1ARMAOAMAOB
SCHEMBL22049794 0.83 ALDH1A1 (0.61) KDM4ENPSR1HPGDALDH1A1COMT
SCHEMBL26332330 0.82 COMT (0.53) MAOBKDM4ENPSR1HPGDALDH1A1
SCHEMBL23625535 0.81 AR (0.45) IMPDH2IMPDH1ARESR2KDM4E
SCHEMBL24407116 0.81 AR (0.45) IMPDH2IMPDH1ARESR2KDM4E
SCHEMBL25546169 0.81 AR (0.45) IMPDH2IMPDH1ARMAOAMAOB
SCHEMBL24617123 0.81 KIF11 (0.49) IMPDH2IMPDH1ARESR2SLC22A12
SCHEMBL23625611 0.80 GRM2 (0.52) IMPDH2IMPDH1ARTSHRNSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021135516-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
WO-2021135725-A1 ORGANIC COMPOUND, ELECTRONIC DEVICE AND ELECTRONIC APPARATUS USING SAME 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed
CN-101393970-B Light emitting element TORAY INDUSTRIES 2010-11-10 CN disclosed
CN-101393970-A Light emitting element TORAY INDUSTRIES (JP) 2009-03-25 CN disclosed
CN-1308414-C Pyrromethene metal complex and light emitting device composition and light emitting devices using the same TORAY INDUSTRIES (JP) 2007-04-04 CN disclosed
CN-1690162-A Pyrromethene metal complex and light emitting device composition and light emitting devices using the same TORAY INDUSTRIES (JP) 2005-11-02 CN disclosed
EP-1253151-B1 Pyrromethene metal complex and light emitting device composition and light emitting devices using the same TORAY INDUSTRIES (JP) 2005-01-12 EP disclosed
US-6805978-B2 COMPLEX CONTAINING DIKETOPYRROLO(3,4-C)PYRROLE COMPOUND TORAY INDUSTRIES, INC. (JP) 2004-10-19 US disclosed
US-20030082406-A1 Complex containing diketopyrrolo(3,4-c)pyrrole compound TORAY INDUSTRIES, INC. (JP) 2003-05-01 US disclosed
CN-1390841-A Methylene pyrrole metal complex, material for luminating element containing it and luminating element TORAY INDUSTRIES (JP) 2003-01-15 CN disclosed
EP-1253151-A1 Pyrromethene metal complex and light emitting device composition and light emitting devices using the same TORAY INDUSTRIES, INC. (JP) 2002-10-30 EP 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-20030082406-A1 Complex containing diketopyrrolo(3,4-c)pyrrole compound PPOX, CPNE4, TP53RK IMPDH2 2441/4885IMPDH1 2401/4885AR 4020/4885

“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.