SCHEMBL1450415

SCHEMBL1450415

CC1(C)CC(=O)c2ccncc2O1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 1/20 0.50
MAOB P27338 10/20 0.43
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CCNC P24863 5/20 0.40
CDK8 P49336 5/20 0.40
HASPIN Q8TF76 5/20 0.40
CDK19 Q9BWU1 4/20 0.40

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
SCHEMBL18572714 0.83 CCNC (0.43) ALDH1A1KDM4EMAOBCCNCCDK8
SCHEMBL30953660 0.80 HASPIN (0.38) ALDH1A1KDM4ECCNCCDK8HASPIN
SCHEMBL20747127 0.79 CCNC (0.46) ALDH1A1KDM4ECCNCCDK8HASPIN
SCHEMBL20747125 0.78 KDM4E (0.49) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL18572432 0.77 CCNC (0.38) ALDH1A1KDM4ECCNCCDK8HASPIN
SCHEMBL18573013 0.77 HASPIN (0.38) CCNCCDK8HASPINCDK19
SCHEMBL18572718 0.76 KDM4E (0.54) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL18572987 0.76 CCNC (0.38) CCNCCDK8HASPINCDK19
SCHEMBL18572986 0.76 CCNC (0.36) ALDH1A1KDM4ECCNCCDK8HASPIN
SCHEMBL22583211 0.75 LMNA (0.38) ALDH1A1KDM4EMAPTCCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
EP-1908753-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 EP disclosed
EP-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 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 (3 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-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 ALDH1A1 2362/4885KDM4E 3809/4885MAPT 4346/4885
US-10208056-B2 Condensed tricyclic compounds as protein kinase inhibitors CDK8, CDK18, CDK2 ALDH1A1 4603/4885KDM4E 1257/4885MAPT 1919/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 ALDH1A1 2362/4885KDM4E 3809/4885MAPT 4346/4885

“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.