SCHEMBL2013872

SCHEMBL2013872

O=Cc1ncnc2nccnc12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 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
Water SCHEMBL28801537 0.98 CCR1 (0.32) CCR1CCR5CCR8
SCHEMBL314773 0.70 ADORA2A (0.32)
SCHEMBL1069237 0.69 ALDH1A1 (0.42) CCR1CCR8
SCHEMBL6852244 0.67 CCR1 (0.35) CCR1CCR5CCR8
SCHEMBL1716797 0.67 CCR1 (0.59) CCR1CCR5CCR8
SCHEMBL27712143 0.66 ADORA2A (0.32)
SCHEMBL23618574 0.65 ADORA2A (0.32)
SCHEMBL2007375 0.65 ADORA2A (0.52)
SCHEMBL4385353 0.65 ADORA2A (0.37)
SCHEMBL2007373 0.65 ADORA2A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104736539-B Sepiapterin and the autofrettage of tetrahydrochysene lactoyl pterin 白鸟制药株式会社 2017-09-01 CN disclosed
CN-105473733-A Diagnostic in vitro method UNIV KOELN 2016-04-06 CN disclosed
CN-102264721-B Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INC. (US) 2015-12-09 CN disclosed
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
CN-101171014-B Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2012-02-15 CN 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
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
CN-100418971-C Heteroaryl-fused pyrimidinyl compounds as anticancer agents CHIRON CORP (US) 2008-09-17 CN disclosed
CN-101171014-A Pteridines useful as HCV inhibitors and methods for the preparation thereof TIBOTEC PHARM LTD (IE) 2008-04-30 CN disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
CN-1886384-A Quinazolinone compounds as anticancer agents CHIRON CORP (US) 2006-12-27 CN disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
CN-1809563-A Pyridino[1,2-a]pyrimidin-4-one compounds as anticancer agents CHIRON CORP (US) 2006-07-26 CN disclosed
CN-1798749-A Heteroryl-fused pyrimidinyl compounds as anticancer agents CHIRON CORP (US) 2006-07-05 CN 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 CCR1 1294/4885CCR5 1522/4885CCR8 249/4885
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE CCR1 4864/4885CCR5 4839/4885CCR8 4748/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 CCR1 4651/4885CCR5 4594/4885CCR8 4392/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A CCR1 1673/4885CCR5 2435/4885CCR8 376/4885

“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.