SCHEMBL6185302

SCHEMBL6185302

N#Cc1cnc2cc(F)c(OCc3ccccc3)cc2c1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.46
SRC P12931 5/20 0.46
KDR P35968 1/20 0.46
MAP2K1 Q02750 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ERBB2 P04626 5/20 0.42
MAP3K8 P41279 2/20 0.42
XDH P47989 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL6185004 0.86 EGFR (0.46) EGFRSRCKDRMAP2K1MRGPRX4
SCHEMBL15263519 0.85 SRC (0.61) EGFRSRCKDRMAP2K1ERBB2
SCHEMBL1893875 0.85 SRC (0.61) EGFRSRCKDRMAP2K1ERBB2
SCHEMBL16543994 0.84 EGFR (0.44) EGFRSRCKDRMAP2K1ERBB2
SCHEMBL16543975 0.83 EGFR (0.45) EGFRSRCKDRMAP2K1ERBB2
SCHEMBL6182401 0.82 SRC (0.54) EGFRSRCKDRMAP2K1ERBB2
SCHEMBL4865201 0.82 EGFR (0.55) EGFRSRCERBB2
SCHEMBL5253488 0.80 SRC (0.54) EGFRSRCKDRMAP2K1ERBB2
SCHEMBL2965914 0.79 SRC (0.55) EGFRSRCERBB2
SCHEMBL6182177 0.79 SRC (0.52) EGFRSRCKDRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100354263-C Process for the preparation of 7-substituted-3-quinoline and 3-quinol-4-one carbonitriles WYETH CORP (US) 2007-12-12 CN disclosed
EP-1594502-A1 4- (2,4-DICHLORO-5-METHOXYPHENYL)AMINO -6-ALKOXY-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF ISCHEMIC INJURY Wyeth (US) 2005-11-16 EP disclosed
CN-1665787-A Process for preparing 7-substituted-3-quinolines and 3-quinol-4-one carbonitriles WYETH CORP (US) 2005-09-07 CN disclosed
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP disclosed
WO-2005047259-A1 4-ANILINO-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF CHRONIC MYELOGENOUS LEUKEMIA (CML) WYETH (US) 2005-05-26 WO disclosed
WO-2005047259-A1 4-ANILINO-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF CHRONIC MYELOGENOUS LEUKEMIA (CML) WYETH (US) 2005-05-26 WO disclosed
EP-1499594-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES Wyeth Holdings Corporation (US) 2005-01-26 EP disclosed
US-20040229880-A1 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-alkoxy-3-quinolinecarbonitriles for the treatment of ischemic injury WYETH 2004-11-18 US disclosed
WO-2004075898-A1 4-[(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-ALKOXY-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF ISCHEMIC INJURY WYETH (US) 2004-09-10 WO disclosed
WO-2004075898-A1 4-[(2,4-DICHLORO-5-METHOXYPHENYL)AMINO]-6-ALKOXY-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF ISCHEMIC INJURY WYETH (US) 2004-09-10 WO disclosed
US-6780996-B2 KINASE INHIBITORS; ANTICANCER AGENTS WYETH HOLDINGS CORPORATION 2004-08-24 US disclosed
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles WYETH HOLDINGS CORPORATION 2003-11-13 US disclosed
WO-2003093241-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH HOLDINGS CORPORATION (US) 2003-11-13 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 (2 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-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles MAP4K2, MAP3K7, MAP4K1 EGFR 1394/4885SRC 386/4885KDR 1862/4885
US-20040229880-A1 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-alkoxy-3-quinolinecarbonitriles for the treatment of ischemic injury TNNI3, TXN2, AIFM1 EGFR 3647/4885SRC 4373/4885KDR 625/4885

“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.