SCHEMBL1934489

SCHEMBL1934489

c1cc2c(ccc3cc[nH]c32)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ FGFR1 P11362 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ MARK3 P27448 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ FLT4 P35916 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ CSNK1D P48730 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ RPS6KA3 P51812 1/20 0.46

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
SCHEMBL6603420 0.84 CLK1 (0.41) PIM1CDK5DYRK1AKDM4EPRKCI
SCHEMBL30692017 0.76 PARP1 (0.53) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL243725 0.76 PARP1 (0.53) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL445595 0.75 IMPDH2 (0.58) AURKADAPK3JAK2ROCK2CHEK2
Bromide SCHEMBL2246198 0.74 PARP1 (0.52) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL10594346 0.73 TNF (0.43) CDK2KDM4ECDK4CCND1AHR
Bromide SCHEMBL27922950 0.73 IMPDH2 (0.56) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL4955118 0.72 IMPDH2 (0.43) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL30780132 0.72 KDM4A (0.50) AURKADAPK3JAK2ROCK2CHEK2
SCHEMBL27153010 0.72 KDM4A (0.50) AURKADAPK3JAK2ROCK2CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506208-A Pyrrolo isoquinolines as kinase inhibitors NOVARTIS AG (CH) 2009-08-12 — — CN claimed
CN-108026110-B Fused tricyclic compounds as protein kinase inhibitors 国家公共部门基金会卡洛斯三世国家癌症研究中心(F.S.P.CNIO) 2022-02-08 — — CN disclosed
EP-3341376-B1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACION DEL SECTOR PUBLICO ESTATAL CENTRO NAC DE INVESTIGACIONES ONCOLOGICAS CARLOS III F S P CNIO (ES) 2020-12-23 — — EP disclosed
US-10208056-B2 Condensed tricyclic compounds as protein kinase inhibitors Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2019-02-19 — — US disclosed
US-20180244687-A1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundación Del Sector Público Estatal Centro Nacional De Investigaciones Oncológicas Carlos III (F.S.P. CNIO) (ES) 2018-08-30 — — US disclosed
EP-3341376-A1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS Fundacion del Sector Publico Estatal Centro Nacional de Investigaciones Oncologicas Carlos III (F.S.P. CNIO) (ES) 2018-07-04 — — EP disclosed
WO-2017033019-A1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (CNIO) (ES) 2017-03-02 — — WO disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 — — US disclosed
WO-2011068881-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 — — WO disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 — — US disclosed
US-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 — — US disclosed
CN-101506208-A Pyrrolo isoquinolines as kinase inhibitors NOVARTIS AG (CH) 2009-08-12 — — CN disclosed
EP-2064212-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS Novartis AG (CH) 2009-06-03 — — EP disclosed
WO-2008025512-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-03-06 — — WO disclosed
EP-1109809-B1 PYRROLOQUINOLINES FOR TREATMENT OF OBESITY CEREBRUS PHARM LTD (GB) 2004-11-17 — — EP disclosed
US-6365598-B1 FOR THERAPY AND PROPHYLAXIS OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS; AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-02 — — 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 (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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 AURKA 38/4885DAPK3 650/4885JAK2 279/4885
US-20100069360-A1 ORGANIC COMPOUNDS SLCO1B3, CYP3A7, SLCO1B1 AURKA 1885/4885DAPK3 3490/4885JAK2 1238/4885
US-20180244687-A1 CONDENSED TRICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS CDK8, CDK18, CDK2 AURKA 102/4885DAPK3 435/4885JAK2 952/4885
US-10208056-B2 Condensed tricyclic compounds as protein kinase inhibitors CDK8, CDK18, CDK2 AURKA 102/4885DAPK3 435/4885JAK2 952/4885

“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.

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