SCHEMBL14722906

SCHEMBL14722906

Cc1ccc2[nH]ccc2c1C#N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.39
IMPDH1 P20839 2/20 0.39
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
PRKCQ Q04759 7/20 0.35
PRKCD Q05655 7/20 0.35
AHR P35869 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PARP1 P09874 1/20 0.33
DRD1 P21728 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32

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
SCHEMBL4414444 0.78 IMPDH2 (0.44) IMPDH2IMPDH1PRKCQPRKCDAHR
SCHEMBL31431130 0.77 IMPDH2 (0.39) IMPDH2IMPDH1TYK2JAK3PRKCQ
SCHEMBL10340373 0.77 MTNR1A (0.43) IMPDH2IMPDH1PRKCQPRKCDMAPT
SCHEMBL23088298 0.74 IMPDH2 (0.37) IMPDH2IMPDH1PRKCQPRKCDKDM4E
SCHEMBL29792585 0.74 IMPDH2 (0.37) IMPDH2IMPDH1PRKCQPRKCDKDM4E
SCHEMBL5684102 0.74 CYP1A2 (0.42) CYP1A2CYP2C19KDM4EALDH1A1MAPT
SCHEMBL5780953 0.73 PRKCQ (0.46) IMPDH2IMPDH1PRKCQPRKCD
SCHEMBL8404367 0.73 AHR (0.40) PRKCQPRKCDAHRCYP1A2PARP1
SCHEMBL7975208 0.71 CYP1A2 (0.46) CYP1A2CYP2C19KDM4EALDH1A1MAPT
SCHEMBL31050110 0.71 CYP1A2 (0.46) CYP1A2CYP2C19KDM4EALDH1A1MAPT

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
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 US disclosed
US-10336938-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-02 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
CN-104024248-A SERINE/THREONINE PAK1 INHIBITORS HOFFMANN LA ROCHE 2014-09-03 CN disclosed
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 EP disclosed
US-8637537-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-08-29 US disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 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-20130225620-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 IMPDH2 4339/4885IMPDH1 3768/4885TYK2 1108/4885

“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.