SCHEMBL4982256

SCHEMBL4982256

COc1cc2cc(C(=O)OC(C)(C)C)c(N)cc2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.49
SRD5A2 P31213 2/20 0.49
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TLR9 Q9NR96 3/20 0.43
TLR7 Q9NYK1 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
RXRA P19793 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 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
SCHEMBL7214919 0.86 SRD5A1 (0.58) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL4982975 0.80 SRD5A1 (0.43) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL4982978 0.80 SRD5A1 (0.43) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL1012178 0.80 KDM4E (0.66) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL1892032 0.80 KDM4E (0.66) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL23459152 0.79 KDM4E (0.52) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL2089698 0.79 KDM4E (0.52) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL12793381 0.78 HPGD (0.49) SRD5A1SRD5A2CTSVCTSLHPGD
SCHEMBL4985383 0.77 KDM4E (0.45) HPGDTLR9KDM4EALDH1A1MTNR1A
SCHEMBL3138320 0.77 CTSV (0.57) SRD5A1SRD5A2CTSVCTSLHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100457719-C Process for the regioselective preparation of substituted benzo [ G ] quinoline-3-carbonitriles and benzo [ G ] quinazolines WYETH CORP (US) 2009-02-04 CN disclosed
CN-100432055-C Tricyclic protein kinase inhibitors WYETH CORP (US) 2008-11-12 CN disclosed
US-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES WYETH (US) 2008-07-17 US disclosed
US-7365197-B2 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines WYETH (US) 2008-04-29 US disclosed
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP disclosed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 US disclosed
US-7105531-B2 Tricyclic protein kinase inhibitors WYETH (US) 2006-09-12 US disclosed
CN-1262541-C Tricyclic protein kinase inhibitors WYETH CORP (US) 2006-07-05 CN disclosed
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines WYETH 2006-02-23 US disclosed
CN-1704404-A Tricyclic protein kinase inhibitors WYETH CORP (US) 2005-12-07 CN disclosed
US-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 US disclosed
CN-1483019-A Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines 2004-03-17 CN disclosed
US-6638929-B2 Compounds containing nicotinonitrile rings; anticarcinogenic and -tumor agents; polycystic kidney disease and colonic polyps; antiproliferative agents; angiogenesis inhibitors; restenosis; atherosclerosis; angiofibromas; hemangiomas; WYETH 2003-10-28 US disclosed
EP-1345889-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO G]QUINOLINE-3-CARBONITRILES AND BENZO G]QUINAZOLINES Wyeth (US) 2003-09-24 EP disclosed
CN-1437584-A Tricyclic protein kinase inhibitors WYETH CORP (US) 2003-08-20 CN disclosed
EP-1242382-A1 TRICYCLIC PROTEIN KINASE INHIBITORS Wyeth (US) 2002-09-25 EP disclosed
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines AMERICAN HOME PRODUCTS CORPORATION 2002-07-11 US disclosed
WO-2002053528-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES WYETH (US) 2002-07-11 WO disclosed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US disclosed
WO-2001047892-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-07-05 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 (6 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-20040110762-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 SRD5A1 2107/4885SRD5A2 3064/4885CTSV 2652/4885
US-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES PDXK, PKD1, GLS SRD5A1 1700/4885SRD5A2 1647/4885CTSV 1093/4885
US-20060247217-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 SRD5A1 2303/4885SRD5A2 3106/4885CTSV 2553/4885
US-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 SRD5A1 2703/4885SRD5A2 3745/4885CTSV 3757/4885
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, GLS SRD5A1 1700/4885SRD5A2 1647/4885CTSV 1093/4885
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, PFKP SRD5A1 1929/4885SRD5A2 1838/4885CTSV 1194/4885

“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.