SCHEMBL4985461

SCHEMBL4985461

COc1cc2cc3c(Cl)ncnc3cc2cc1OCCN1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.58
EPHA2 P29317 1/20 0.58
EPHB4 P54760 1/20 0.58
SRC P12931 12/20 0.56
EGFR P00533 6/20 0.56
ABL1 P00519 1/20 0.56
ERBB2 P04626 1/20 0.56
FYN P06241 1/20 0.56
LYN P07948 1/20 0.56
FGFR1 P11362 1/20 0.56
FLT1 P17948 1/20 0.56
FLT4 P35916 1/20 0.56
ENPP1 P22413 1/20 0.53
KDM1A O60341 1/20 0.52

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
SCHEMBL3425922 0.92 KDR (0.67) KDREPHA2EPHB4SRCEGFR
SCHEMBL1011324 0.92 KDR (0.67) KDREPHA2EPHB4SRCEGFR
SCHEMBL29478521 0.87 EGFR (0.67) KDREPHA2EPHB4SRCEGFR
SCHEMBL3530275 0.87 EGFR (0.67) KDREPHA2EPHB4SRCEGFR
SCHEMBL2770275 0.87 EGFR (0.67) KDREPHA2EPHB4SRCEGFR
Hydrochloric Acid SCHEMBL27988367 0.86 EGFR (0.66) KDREPHB4SRCEGFRABL1
SCHEMBL4984394 0.82 SRC (0.69) KDREPHA2EPHB4SRCEGFR
SCHEMBL28487050 0.82 KDR (0.52) KDREPHA2EPHB4SRCEGFR
SCHEMBL18744742 0.82 ENPP1 (0.67) KDREPHA2EPHB4EGFRFGFR1
SCHEMBL4178028 0.82 ENPP1 (0.67) KDREPHA2EPHB4EGFRFGFR1

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 KDR 2964/4885EPHA2 4530/4885EPHB4 4295/4885
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, GLS KDR 2964/4885EPHA2 4530/4885EPHB4 4295/4885
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, PFKP KDR 3115/4885EPHA2 4547/4885EPHB4 4141/4885

“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.