SCHEMBL5103017

SCHEMBL5103017

COCCOc1cc2c(Nc3cc(OC)c(Cl)cc3Cl)c(C#N)cnc2cc1I

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.86
ABL1 P00519 4/20 0.73
BCR P11274 4/20 0.73
KCNH2 Q12809 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
STK25 O00506 1/20 0.63
CIT O14578 1/20 0.63
RIOK3 O14730 1/20 0.63
MAP2K7 O14733 1/20 0.63
CHEK1 O14757 1/20 0.63
CASK O14936 1/20 0.63
GAK O14976 1/20 0.63
EPHB6 O15197 1/20 0.63
MAP3K13 O43283 1/20 0.63
MAP3K7 O43318 1/20 0.63
RIPK2 O43353 1/20 0.63
NUAK1 O60285 1/20 0.63
JAK2 O60674 1/20 0.63

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
SCHEMBL6182533 0.92 SRC (1.00) SRCABL1BCRKCNH2CYP3A4
SCHEMBL3990230 0.91 SRC (0.84) SRCABL1BCR
SCHEMBL4961828 0.91 SRC (0.82) SRCABL1BCRABL2
SCHEMBL6185458 0.89 SRC (0.86) SRCABL1BCRKCNH2CYP3A4
SCHEMBL6182900 0.89 SRC (0.93) SRCABL1BCRKCNH2CYP3A4
SCHEMBL6182389 0.88 SRC (0.91) SRCABL1BCRKCNH2CYP3A4
SCHEMBL5652444 0.86 SRC (0.89) SRCABL1BCRKCNH2CYP3A4
SCHEMBL22861713 0.85 SRC (1.00) SRCABL1BCRABL2
SCHEMBL6185823 0.84 SRC (0.78) SRCABL1BCR
SCHEMBL6183027 0.84 SRC (0.78) SRCABL1BCRKCNH2STK25

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080033175-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles WYETH HOLDINGS CORPORATION (US) 2008-02-07 US disclosed
US-7297795-B2 Process for preparation of 4-amino-3-quinolinecarbonitriles WYETH HOLDINGS CORPORATION (US) 2007-11-20 US disclosed
EP-1660453-A2 PROCESS FOR THE PREPARATION OF 4-AMINO-3-QUINOLINECARBONITRILES Wyeth Holdings Corporation (US) 2006-05-31 EP disclosed
WO-2005019201-A2 PROCESS FOR THE PREPARATION OF 4-AMINO-3-QUINOLINECARBONITRILES WYETH HOLDINGS CORPORATION (US) 2005-03-03 WO disclosed
US-20050043537-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles WYETH HOLDINGS CORPORATION (US) 2005-02-24 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-20080033175-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles BTF3, PTMS, BCAT2 SRC 1820/4885ABL1 147/4885BCR 1121/4885
US-20050043537-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles BTF3, PTMS, BCAT2 SRC 1820/4885ABL1 147/4885BCR 1121/4885

“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.