SCHEMBL1663769

SCHEMBL1663769

Nc1ccc2c(=O)nc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.56
MAPT P10636 5/20 0.55
KDM4E B2RXH2 4/20 0.55
RAD52 P43351 1/20 0.55
PARP1 P09874 2/20 0.50
IMPDH2 P12268 3/20 0.42
PNP P00491 1/20 0.40
CLK1 P49759 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
AR P10275 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
RPS6KA3 P51812 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
ALDH1A1 P00352 4/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8700858 0.85 PARP1 (0.54) PRKCIMAPTKDM4ERAD52PARP1
SCHEMBL12489082 0.79 PIM1 (0.51) MAPTIMPDH2CLK1CDK5CDK5R1
SCHEMBL144025 0.78 PARP1 (0.50) MAPTPARP1PNPCDK5CDK5R1
SCHEMBL1345856 0.78 PARP1 (0.50) KDM4EPARP1CHEK1
SCHEMBL13003705 0.78 PARP1 (0.54) PARP1RPS6KA3ALDH1A1SMN1; SMN2MEN1
SCHEMBL1663176 0.78 LMNA (0.51) MAPTKDM4EPARP1CDK5CDK5R1
SCHEMBL2191216 0.78 ALDH1A1 (0.55) PARP1CSNK2A1ALDH1A1SMN1; SMN2TP53
SCHEMBL29638516 0.78 PARP1 (0.54) PARP1RPS6KA3ALDH1A1SMN1; SMN2MEN1
SCHEMBL29798728 0.78 PARP1 (0.50) KDM4EPARP1CHEK1
SCHEMBL8934855 0.77 MAPT (0.53) PRKCIMAPTKDM4ERAD52PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670486-A Polymer composition pigmented with copper or nickel complexes of ligands containing a semicarbazone moiety CIBA-GEIGY CORPORATION (US) 1987-06-02 US claimed
US-10624882-B2 Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
EP-2068878-B1 RHO KINASE INHIBITORS AERIE PHARMACEUTICALS INC (US) 2019-04-10 EP disclosed
US-20180344723-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2018-12-06 US disclosed
US-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-11-24 US disclosed
US-20160243102-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2016-08-25 US disclosed
US-9303026-B2 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2016-04-05 US disclosed
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-25 US disclosed
US-9199973-B2 Bicyclic heteroaromatic compounds as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2015-12-01 US disclosed
US-20150297581-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2015-10-22 US disclosed
US-4775747-A PIGMENTS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1988-10-04 US disclosed
US-4670486-A Polymer composition pigmented with copper or nickel complexes of ligands containing a semicarbazone moiety CIBA-GEIGY CORPORATION (US) 1987-06-02 US disclosed
US-4639477-A AZO DYES CIBA-GEIGY CORPORATION (US) 1987-01-27 US disclosed
EP-0000737-B1 MONOAZO PIGMENTS OF THE ACETOACETYLAMINO BENZIMIDAZOLONE SERIES, THEIR PREPARATION AND THEIR USE FOR COLOURING ORGANIC MATERIAL OF HIGH MOLECULAR WEIGHT CIBA-GEIGY AG (CH) 1981-04-29 EP disclosed
US-4263205-A FOR COLORING POLYMERS, LACQUERS CIBA-GEIGY CORPORATION (US) 1981-04-21 US disclosed
US-4220586-A FASTNESS TO LIGHT, OVER-LACQUERING, MIGRATION, WEATHERING, AND HEAT CIBA-GEIGY CORPORATION (US) 1980-09-02 US disclosed
EP-0000737-A1 Monoazo pigments of the acetoacetylamino benzimidazolone series, their preparation and their use for colouring organic material of high molecular weight CIBA-GEIGY AG (CH) 1979-02-21 EP disclosed
US-4116959-A ISOINDOLINE PIGMENTS CIBA-GEIGY CORPORATION (US) 1978-09-26 US disclosed
US-4088641-A YELLOW TO RED SHADES CIBA-GEIGY CORPORATION (US) 1978-05-09 US disclosed
US-4012371-A Benzinaldazolyl-, quinolonyl-, or phenmorpholonylazo-3-cyano-4-methyl-1,2-[1',2']-benz-[4',5']-imidazolo-6-hydroxypyridine colorants CIBA-GEIGY CORPORATION (US) 1977-03-15 US 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 (6 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-20160339027-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC PRKCI 452/4885MAPT 1036/4885KDM4E 1692/4885
US-20160243102-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT PRKCI 166/4885MAPT 1764/4885KDM4E 2089/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT PRKCI 166/4885MAPT 1764/4885KDM4E 2089/4885
US-10624882-B2 Rho kinase inhibitors ROCK1, ROCK2, CIT PRKCI 166/4885MAPT 1764/4885KDM4E 2089/4885
US-20160051551-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, ERBB2, SRC PRKCI 452/4885MAPT 1036/4885KDM4E 1692/4885
US-20180344723-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT PRKCI 166/4885MAPT 1764/4885KDM4E 2089/4885

“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.