SCHEMBL4988764

SCHEMBL4988764

COc1cc2cc(C#N)c(N)cc2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.46
SRD5A2 P31213 2/20 0.46
CHRNA7 P36544 2/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
MAOB P27338 1/20 0.45
MYB P10242 1/20 0.44
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
CSF1R P07333 1/20 0.42

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
SCHEMBL6762410 0.91 CHRNA7 (0.48) CHRNA7MAOBMYBEGFRSRC
SCHEMBL3488326 0.91 CHRNA7 (0.48) CHRNA7MAOBMYBEGFRSRC
SCHEMBL1656917 0.77 CHRNA7 (0.48) CHRNA7MAOBEGFRSRCKDR
SCHEMBL4984639 0.77 CHRNA7 (0.42) SRD5A1SRD5A2CHRNA7PDGFRBPDGFRA
SCHEMBL4984632 0.77 CHRNA7 (0.42) SRD5A1SRD5A2CHRNA7PDGFRBPDGFRA
SCHEMBL7214919 0.77 SRD5A1 (0.58) SRD5A1SRD5A2PDGFRBPDGFRANPC1
SCHEMBL31757025 0.76 CHRNA7 (0.51) SRD5A1SRD5A2CHRNA7NPC1RAB9A
SCHEMBL5253488 0.75 SRC (0.54) PDGFRBPDGFRAEGFRSRCKDR
SCHEMBL1656955 0.74 CTSV (0.54) SRD5A1SRD5A2NPC1RAB9A
SCHEMBL14966235 0.74 CHRNA7 (0.45) CHRNA7MAOBMYBEGFRSRC

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 8 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
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
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-1483019-A Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines 2004-03-17 CN 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080171874-A1 METHOD FOR THE REGIOSELECTIVE PREPARATION OF SUBSTITUTED BENZO[G]QUINOLINE-3-CARBONITRILES AND BENZO[G]QUINAZOLINES PDXK, PKD1, GLS SRD5A1 1700/4885SRD5A2 1647/4885CHRNA7 4401/4885
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 1647/4885CHRNA7 4401/4885
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, PFKP SRD5A1 1929/4885SRD5A2 1838/4885CHRNA7 4633/4885

“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.