SCHEMBL2013110

SCHEMBL2013110

O=Cc1cc2ccncc2cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 3/20 0.44
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
CYP2A6 P11509 2/20 0.43
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
ERN1 O75460 1/20 0.39
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 1/20 0.34
IMPDH2 P12268 1/20 0.34
PIM1 P11309 2/20 0.33
CCR1 P32246 1/20 0.33
PRKCZ Q05513 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL2007563 0.92 HASPIN (0.44) HASPINCCNT1CDK9CYP2A6CSNK1D
SCHEMBL29956635 0.78 CYP2A6 (0.48) CYP2A6ALDH1A1KDM4ECCR1
SCHEMBL1202061 0.78 CYP2A6 (0.48) CYP2A6ALDH1A1KDM4ECCR1
SCHEMBL28318632 0.76 CYP2A6 (0.47) CYP2A6ALDH1A1KDM4ECCR1
SCHEMBL276963 0.74 CLK1 (0.46) HASPINCCNT1CDK9CYP2A6CSNK1D
SCHEMBL27143272 0.72 L3MBTL1 (0.46) CYP2A6MAPTALDH1A1CCR1
SCHEMBL4388160 0.72 CYP2A6 (0.42) CYP2A6DYRK1AERN1ALDH1A1CCR1
SCHEMBL21635170 0.71 CCR1 (0.30) CCR1
SCHEMBL1519743 0.71 CYP3A4 (0.53) HASPINCCNT1CDK9CYP2A6ERN1
SCHEMBL29935862 0.71 CYP3A4 (0.53) HASPINCCNT1CDK9CYP2A6ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114423757-A Tricyclic heteroaryl compounds useful as IRAK4 inhibitors 百时美施贵宝公司 2022-04-29 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

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 HASPIN 4755/4885CCNT1 427/4885CDK9 14/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE HASPIN 2583/4885CCNT1 4473/4885CDK9 1415/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 HASPIN 4244/4885CCNT1 1015/4885CDK9 367/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A HASPIN 4571/4885CCNT1 320/4885CDK9 34/4885

“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.