SCHEMBL1901433

SCHEMBL1901433

COc1cc(Nc2c(C#N)cnc3cc(OCCCn4nccn4)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 6/20 0.76
BCR P11274 5/20 0.76
ABL2 P42684 2/20 0.76
KCNH2 Q12809 2/20 0.76
STK25 O00506 1/20 0.76
CIT O14578 1/20 0.76
RIOK3 O14730 1/20 0.76
MAP2K7 O14733 1/20 0.76
CHEK1 O14757 1/20 0.76
CASK O14936 1/20 0.76
GAK O14976 1/20 0.76
EPHB6 O15197 1/20 0.76
MAP3K13 O43283 1/20 0.76
MAP3K7 O43318 1/20 0.76
RIPK2 O43353 1/20 0.76
NUAK1 O60285 1/20 0.76
JAK2 O60674 1/20 0.76
ROCK2 O75116 1/20 0.76
ULK1 O75385 1/20 0.76

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
SCHEMBL4447128 0.96 SRC (0.92) SRCABL1BCRABL2KCNH2
SCHEMBL1894996 0.90 SRC (0.82) SRCABL1BCRABL2KCNH2
SCHEMBL4984401 0.90 SRC (0.81) SRCABL1BCREGFRERBB2
SCHEMBL1897734 0.89 SRC (0.80) SRCABL1BCRABL2KCNH2
SCHEMBL29618203 0.88 SRC (0.85) SRCABL1BCRABL2KCNH2
SCHEMBL2886333 0.88 SRC (0.85) SRCABL1BCRABL2KCNH2
SCHEMBL1894955 0.87 SRC (0.78) SRCABL1BCRABL2KCNH2
SCHEMBL1896794 0.87 SRC (1.00) SRCABL1BCRABL2KCNH2
SCHEMBL16626984 0.87 SRC (0.84) SRCABL1BCRABL2KCNH2
Hydrochloric Acid SCHEMBL19207239 0.87 SRC (0.84) SRCABL1BCRABL2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42376-E1 Substituted 3-cyanoquinolines WYETH HOLDINGS CORPORATION (US) 2011-05-17 US claimed
EP-2253620-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2010-11-24 EP claimed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP claimed
US-6297258-B1 USEFUL AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE. AMERICAN CYANAMID COMPANY 2001-10-02 US claimed
EP-1117649-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 EP claimed
WO-2000018740-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 WO claimed
EP-2896612-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings LLC (US) 2015-07-22 EP disclosed
EP-2253620-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH HOLDINGS LLC (US) 2014-03-12 EP disclosed
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer WYETH (US) 2009-12-31 US disclosed
WO-2009151910-A2 COMBINATION PRODUCT OF RECEPTOR TYROSINE KINASE INHIBITOR AND FATTY ACID SYNTHASE INHIBITOR FOR TREATING CANCER WYETH (US) 2009-12-17 WO disclosed
EP-1950201-A1 Substituted 3-cyanoquinolines as protein tyrosine kinases inhibitors Wyeth Holdings Corporation (US) 2008-07-30 EP 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 (1 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-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer FASN, FRS2, FGFR1 SRC 9/4885ABL1 74/4885BCR 618/4885

“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.