SCHEMBL4984632

SCHEMBL4984632

COc1cc2cc(C#N)c(/N=C\N(C)C)cc2cc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.42
SRD5A1 P18405 2/20 0.40
SRD5A2 P31213 2/20 0.40
CNR1 P21554 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
APP P05067 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4984639 1.00 CHRNA7 (0.42) CHRNA7SRD5A1SRD5A2CNR1MEN1
SCHEMBL4297316 0.92 CHRNA7 (0.44) CHRNA7CNR1MEN1KMT2AEGFR
SCHEMBL13749948 0.92 CHRNA7 (0.44) CHRNA7CNR1MEN1KMT2AEGFR
SCHEMBL3488194 0.92 CHRNA7 (0.44) CHRNA7CNR1MEN1KMT2AEGFR
SCHEMBL12414792 0.79 L3MBTL1 (0.39) CHRNA7MEN1KMT2AAPPALDH1A1
SCHEMBL4988764 0.77 SRD5A1 (0.46) CHRNA7SRD5A1SRD5A2EGFRSRC
SCHEMBL4982975 0.76 SRD5A1 (0.43) SRD5A1SRD5A2MEN1KMT2AAPP
SCHEMBL4982978 0.76 SRD5A1 (0.43) SRD5A1SRD5A2MEN1KMT2AAPP
SCHEMBL5547462 0.76 GAA (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5547466 0.76 GAA (0.42) MEN1KMT2AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CHRNA7 4401/4885SRD5A1 1700/4885SRD5A2 1647/4885
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, GLS CHRNA7 4401/4885SRD5A1 1700/4885SRD5A2 1647/4885
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, PFKP CHRNA7 4633/4885SRD5A1 1929/4885SRD5A2 1838/4885

“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.