SCHEMBL676569

SCHEMBL676569

COc1cc(Nc2c(C#N)cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 1.00
ABL1 P00519 11/20 1.00
ABL2 P42684 9/20 1.00
BCR P11274 3/20 0.77
KCNH2 Q12809 2/20 0.77
STK25 O00506 1/20 0.77
CIT O14578 1/20 0.77
RIOK3 O14730 1/20 0.77
MAP2K7 O14733 1/20 0.77
CHEK1 O14757 1/20 0.77
CASK O14936 1/20 0.77
GAK O14976 1/20 0.77
EPHB6 O15197 1/20 0.77
MAP3K13 O43283 1/20 0.77
MAP3K7 O43318 1/20 0.77
RIPK2 O43353 1/20 0.77
NUAK1 O60285 1/20 0.77
JAK2 O60674 1/20 0.77
ROCK2 O75116 1/20 0.77
ULK1 O75385 1/20 0.77

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
SCHEMBL30453491 1.00 SRC (1.00) SRCABL1ABL2BCRKCNH2
SCHEMBL30453438 0.96 SRC (0.92) SRCABL1ABL2BCRKCNH2
SCHEMBL676580 0.96 SRC (0.92) SRCABL1ABL2BCRKCNH2
SCHEMBL675968 0.96 SRC (1.00) SRCABL1ABL2BCRKCNH2
SCHEMBL30454332 0.96 SRC (1.00) SRCABL1ABL2BCRKCNH2
SCHEMBL30453888 0.93 SRC (1.00) SRCABL1ABL2BCRKCNH2
SCHEMBL676581 0.93 SRC (1.00) SRCABL1ABL2BCRKCNH2
SCHEMBL30452986 0.92 SRC (0.93) SRCABL1ABL2BCRKCNH2
SCHEMBL677192 0.92 SRC (0.93) SRCABL1ABL2BCRKCNH2
SCHEMBL6183462 0.91 SRC (0.89) SRCABL1ABL2BCRKCNH2

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002009-A2 TREATMENT OF IMATINIB RESISTANT LEUKEMIA USING 4-AMINOQUINOLINE-3-CARBONITRILES Wyeth LLC (US) 2016-04-06 EP claimed
EP-2777704-A2 Treatment of imatinib resistant leukemia using 4-aminoquinoline-3-carbonitriles Wyeth LLC (US) 2014-09-17 EP claimed
EP-2478905-A2 Treatment of imatinib resistant leukemia using 4-aminoquinoline-3-carbonitriles Wyeth LLC (US) 2012-07-25 EP claimed
US-20100029677-A1 4-ANILINO-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF CHRONIC MYELOGENOUS LEUKEMIA (CML) WYETH (US) 2010-02-04 US claimed
US-20080318971-A1 using bosutinib WYETH (US) 2008-12-25 US claimed
US-7468379-B2 Inhibition of osteolytic lesions by SRC kinase inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-12-23 US claimed
US-7417148-B2 4-anilino-3-quinolinecarbonitriles for the treatment of chronic myelogenous leukemia (CML) WYETH (US) 2008-08-26 US claimed
EP-1896020-A1 INHIBITION OF OSTEOLYTIC LESIONS BY SRC KINASE INHIBITORS The Board of Regents of The University of Texas System (US) 2008-03-12 EP claimed
US-20070004748-A1 Inhibition of osteolytic lesions by SRC kinase inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-01-04 US claimed
WO-2006138590-A1 INHIBITION OF OSTEOLYTIC LESIONS BY SRC KINASE INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-12-28 WO claimed
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
WO-2005047259-A1 4-ANILINO-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF CHRONIC MYELOGENOUS LEUKEMIA (CML) WYETH (US) 2005-05-26 WO claimed
WO-2005046693-A1 4-ANILINO-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF CHRONIC MYELOGENOUS LEUKEMIA (CML) WYETH (US) 2005-05-26 WO claimed
US-20050101780-A1 4-anilino-3-quinolinecarbonitriles for the treatment of chronic myelogenous leukemia (CML) WYETH (US) 2005-05-12 US 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-20040229880-A1 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-alkoxy-3-quinolinecarbonitriles for the treatment of ischemic injury WYETH 2004-11-18 US claimed
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 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 SRC 386/4885ABL1 26/4885ABL2 440/4885
US-20070004748-A1 Inhibition of osteolytic lesions by SRC kinase inhibitors SRC, CAMK1, SOST SRC 1/4885ABL1 1351/4885ABL2 2090/4885
US-20040229880-A1 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-alkoxy-3-quinolinecarbonitriles for the treatment of ischemic injury TNNI3, TXN2, AIFM1 SRC 4373/4885ABL1 655/4885ABL2 1620/4885
US-20050101780-A1 4-anilino-3-quinolinecarbonitriles for the treatment of chronic myelogenous leukemia (CML) ABL1, MCL1, NPM1 SRC 244/4885ABL1 1/4885ABL2 8/4885
US-20080318971-A1 using bosutinib ABL1, BCR, MCL1 SRC 345/4885ABL1 1/4885ABL2 11/4885
US-20100029677-A1 4-ANILINO-3-QUINOLINECARBONITRILES FOR THE TREATMENT OF CHRONIC MYELOGENOUS LEUKEMIA (CML) ABL1, MCL1, NPM1 SRC 244/4885ABL1 1/4885ABL2 8/4885

“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.