SCHEMBL5011206

SCHEMBL5011206

N#Cc1cnc2cc3ccccc3cc2c1Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.67
RAF1 P04049 5/20 0.61
EGFR P00533 7/20 0.59
ERBB2 P04626 7/20 0.59
STK4 Q13043 1/20 0.54
SRC P12931 1/20 0.53

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
SCHEMBL5253113 0.90 MAP2K1 (0.82) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL676613 0.82 MAP2K1 (0.78) MAP2K1RAF1EGFRERBB2STK4
SCHEMBL29556194 0.82 MAP2K1 (0.78) MAP2K1RAF1EGFRERBB2STK4
SCHEMBL5252936 0.82 EGFR (0.76) EGFRERBB2
SCHEMBL28756490 0.82 MAP2K1 (0.95) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL4775833 0.81 MAP2K1 (0.60) MAP2K1RAF1EGFRERBB2STK4
SCHEMBL6111492 0.81 MAP2K1 (0.67) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL21341769 0.81 MAP2K1 (0.67) MAP2K1RAF1EGFRERBB2SRC
SCHEMBL3468320 0.81 MAP2K1 (0.60) MAP2K1RAF1EGFRERBB2STK4
SCHEMBL5251276 0.81 MAP2K1 (1.00) MAP2K1RAF1EGFRERBB2SRC

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 MAP2K1 834/4885RAF1 243/4885EGFR 1517/4885
US-20060041127-A1 Method for the regioselective preparation of substituted benzo[g]quinoline-3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, GLS MAP2K1 834/4885RAF1 243/4885EGFR 1517/4885
US-20020091273-A1 Method for the regioselective preparation of substituted benzo[g]quinoline3-carbonitriles and benzo[g]quinazolines PDXK, PKD1, PFKP MAP2K1 806/4885RAF1 309/4885EGFR 1539/4885

“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.