SCHEMBL6182136

SCHEMBL6182136

COCCOc1cc2[nH]cc(C#N)c(=O)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
SRC P12931 7/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDR P35968 2/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
FLT1 P17948 1/20 0.39
SYK P43405 1/20 0.39
PRKCQ Q04759 3/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4765036 0.88 KDM4E (0.47) KDM4EMAPK1SRCPOLBALDH1A1
SCHEMBL6382982 0.88 KDM4E (0.44) KDM4EMAPK1SRCPOLBALDH1A1
SCHEMBL6380125 0.88 KDM4E (0.44) KDM4EMAPK1SRCPOLBALDH1A1
SCHEMBL30764767 0.82 SRC (0.51) SRCKDRABL1EGFRFLT1
SCHEMBL2063188 0.81 CTSV (0.60) SRCPOLBALDH1A1LMNAMAPT
SCHEMBL5255220 0.81 KDM4E (0.37) KDM4EMAPK1SRC
SCHEMBL5254593 0.81 KDM4E (0.37) KDM4EMAPK1SRC
SCHEMBL5254479 0.79 CCNT1 (0.42) KDM4EMAPK1SRCPOLBALDH1A1
SCHEMBL6184647 0.79 IMPDH2 (0.51) ALDH1A1HPGDSMN1; SMN2
SCHEMBL6184223 0.78 HTR1A (0.47) KDM4EMAPK1SRCPOLBEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-6780996-B2 KINASE INHIBITORS; ANTICANCER AGENTS WYETH HOLDINGS CORPORATION 2004-08-24 US claimed
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles WYETH HOLDINGS CORPORATION 2003-11-13 US claimed
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 claimed
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
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
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
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 KDM4E 1029/4885MAPK1 116/4885SRC 386/4885
US-20040229880-A1 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-alkoxy-3-quinolinecarbonitriles for the treatment of ischemic injury TNNI3, TXN2, AIFM1 KDM4E 3785/4885MAPK1 3086/4885SRC 4373/4885

“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.