SCHEMBL1386940

SCHEMBL1386940

c1coc(C2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
MAPT P10636 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
KMT2A Q03164 1/20 0.52
CHRM5 P08912 10/20 0.50
CHRM3 P20309 10/20 0.50
CHRM1 P11229 9/20 0.50
CHRM2 P08172 9/20 0.50
CHRM4 P08173 9/20 0.50
L3MBTL1 Q9Y468 3/20 0.44
RECQL P46063 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
USP2 O75604 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL9825250 0.98 POLB (0.53) POLBMAPTTDP1NPSR1KMT2A
SCHEMBL28726197 0.93
SCHEMBL21402172 0.88
Cyanide SCHEMBL27344551 0.82 POLB (0.52) POLBMAPTTDP1NPSR1KMT2A
SCHEMBL8726534 0.80 TDP1 (0.50) POLBMAPTTDP1NPSR1KMT2A
SCHEMBL20908426 0.78 MAPT (0.48) POLBMAPTTDP1NPSR1KMT2A
SCHEMBL8372303 0.78 CHRM5 (0.52) POLBMAPTTDP1NPSR1KMT2A
SCHEMBL18608234 0.78 TDP1 (0.48) POLBMAPTTDP1NPSR1KMT2A
SCHEMBL3258927 0.78 POLB (0.48) POLBMAPTTDP1NPSR1KMT2A
SCHEMBL3438539 0.77 MAPT (0.61) POLBMAPTTDP1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4787150-B2 2011-10-05 JP claimed
US-20110166173-A1 3,5-DISUBSTUTUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI CO., LTD. (JP) 2011-07-07 US claimed
EP-2295433-A2 JNK inhibitors Eisai R&D Management Co., Ltd. (JP) 2011-03-16 EP claimed
EP-1720871-B1 3,5-DISUBSTITUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI R&D MAN CO LTD (JP) 2010-05-19 EP claimed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US claimed
US-20060270646-A1 Jnk inhibitors EISAI CO., LTD. (JP) 2006-11-30 US claimed
EP-1720871-A1 3,5-DISUBSTITUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS Eisai London Research Laboratories Limited (GB) 2006-11-15 EP claimed
EP-1599475-A2 JNK INHIBITORS Eisai Co., Ltd. (JP) 2005-11-30 EP claimed
WO-2005085244-A1 3,5-DISUBSTITUTED 1H-PZRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI LONDON RESEARCH LABORATORIES LIMITED (GB) 2005-09-15 WO claimed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 WO claimed
EP-0783486-B1 NOVEL PROSTAGLANDIN SYNTHASE INHIBITORS DU PONT PHARM CO (US) 1999-10-13 EP claimed
US-5763627-A Process for preparing cyclopropyl alkyl ketones and 4,5-dihydroalkyfurans HUELS AKTIENGESELLSCHAFT (DE) 1998-06-09 US claimed
CN-106661386-A Laminate optical film production method 日东电工株式会社 2017-05-10 CN disclosed
EP-2875017-A1 DERIVATIVES OF 1-(SUBSTITUTED SULFONYL)-2-AMINOIMIDAZOLINE AS ANTITUMOR AND ANTIPROLIFERATIVE AGENTS ONCOARENDI THERAPEUTICS SP. Z.O.O. (PL) 2015-05-27 EP disclosed
WO-2014167446-A1 DERIVATIVES OF 1-(SUBSTITUTED SULFONYL)-2-AMINOIMIDAZOLINE AS ANTITUMOR AND ANTIPROLIFERATIVE AGENTS OncoArendi Therapeutics Sp. z o.o. (PL) 2014-10-16 WO disclosed
US-20110166173-A1 3,5-DISUBSTUTUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI CO., LTD. (JP) 2011-07-07 US disclosed
EP-0725066-A1 Process for the production of cyclopropylalkylketones and 4,5-dihydroalkylfuranes HÜLS AKTIENGESELLSCHAFT (DE) 1996-08-07 EP disclosed
EP-0511036-A1 Synthesis intermediaries with an hexanic ring, and process for their preparation RHONE-POULENC CHIMIE (FR) 1992-10-28 EP disclosed
EP-0248393-B1 METHOD FOR THE PREPARATION OF ACYLATED HETEROAROMATICS AT ZEOLITHIC CATALYSTS BASF Aktiengesellschaft (DE) 1991-08-07 EP disclosed
EP-0248393-A1 Method for the preparation of acylated heteroaromatics at zeolithic catalysts BASF Aktiengesellschaft (DE) 1987-12-09 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 (2 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-20110166173-A1 3,5-DISUBSTUTUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS API5, CDK5, MAPKAPK5 POLB 3701/4885MAPT 249/4885TDP1 333/4885
US-20060270646-A1 Jnk inhibitors MAPKAPK2, MAPK1, MAPKAPK3 POLB 2411/4885MAPT 87/4885TDP1 745/4885

“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.