SCHEMBL6184634

SCHEMBL6184634

N#Cc1c[nH]c2cc(F)c(OCc3ccccc3)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.56
CTSV O60911 3/20 0.51
CTSL P07711 3/20 0.51
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MDH2 P40926 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.40
XDH P47989 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL2063188 0.85 CTSV (0.60) IMPDH2CTSVCTSLALDH1A1HPGD
SCHEMBL4985304 0.81 IMPDH2 (0.52) IMPDH2CTSVCTSLALDH1A1HPGD
SCHEMBL6184223 0.78 HTR1A (0.47) CTSVCTSL
SCHEMBL187805 0.77 IMPDH2 (0.65) IMPDH2MAOBMRGPRX4
SCHEMBL7340451 0.76 CTSV (0.46) IMPDH2CTSVCTSLALDH1A1HPGD
SCHEMBL187743 0.76 IMPDH2 (0.64) IMPDH2SMN1; SMN2MAOBXDHMRGPRX4
SCHEMBL5329622 0.76 GPR84 (0.44) IMPDH2
SCHEMBL187603 0.75 IMPDH2 (0.62) IMPDH2CTSVCTSLALDH1A1HPGD
SCHEMBL20510465 0.75 MAOB (0.53) IMPDH2MAOBXDHMRGPRX4
SCHEMBL31114214 0.75 MAOB (0.56) IMPDH2MAOBXDHMRGPRX4

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-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
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
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

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 IMPDH2 1553/4885CTSV 2301/4885CTSL 1481/4885
US-20040229880-A1 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-alkoxy-3-quinolinecarbonitriles for the treatment of ischemic injury TNNI3, TXN2, AIFM1 IMPDH2 1109/4885CTSV 2164/4885CTSL 1627/4885

“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.