SCHEMBL2008313

SCHEMBL2008313

O=Cc1nccc2ccncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
ERN1 O75460 1/20 0.40
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HASPIN Q8TF76 1/20 0.38
TNF P01375 1/20 0.38
MAPK10 P53779 3/20 0.36
HIPK2 Q9H2X6 1/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL2013046 0.86 ERN1 (0.50) CYP2A6CLK1ERN1CCNT1CDK9
SCHEMBL194555 0.78 PLAU (0.50) CYP2A6ERN1KDM4ENCOA3
Hydrochloric Acid SCHEMBL27892483 0.76 PLAU (0.48) CYP2A6ERN1KDM4ENCOA3
SCHEMBL27667635 0.76 PLAU (0.48) CYP2A6ERN1KDM4ENCOA3
SCHEMBL28236569 0.76 WNT3A (0.41) CYP2A6CLK1DYRK1AERN1CCNT1
Formaldehyde SCHEMBL22343884 0.74 PLAU (0.47) CYP2A6ERN1KDM4ENCOA3
SCHEMBL29935728 0.73 EGFR (0.34) ERN1CCR1CCR5CCR8
SCHEMBL30711554 0.73 S100A4 (0.52) TNFMAPK10KDM4E
SCHEMBL2984594 0.72 LMNA (0.47) CYP2A6CLK1DYRK1ATNFMAPK10
SCHEMBL276689 0.72 CLK1 (0.44) CYP2A6CLK1DYRK1ATNFMAPK10

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-114835619-A Process for preparing azole compounds 武田药品工业株式会社 2022-08-02 CN disclosed
CN-110200903-B Liquid formulations of amines and organic acids stabilized with salts 武田药品工业株式会社 2022-07-29 CN disclosed
CN-110917130-A Liquid formulations of amines and organic acids stabilized with salts 武田药品工业株式会社 2020-03-27 CN disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO disclosed
WO-1998049150-A1 TRIAZINE DERIVATIVES, THEIR PRODUCTION AND AGROCHEMICAL COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 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 (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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 CYP2A6 211/4885CLK1 1731/4885DYRK1A 1814/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE CYP2A6 1204/4885CLK1 1071/4885DYRK1A 1988/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 CYP2A6 76/4885CLK1 384/4885DYRK1A 1643/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A CYP2A6 219/4885CLK1 1931/4885DYRK1A 1872/4885

“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.