SCHEMBL3582233

SCHEMBL3582233

Nc1ccc(C(=O)c2ccc3c(c2)C(=CNc2cccc(O)c2)C(=O)N3)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.46
TLK2 Q86UE8 4/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAP3K7 O43318 1/20 0.44
TAB1 Q15750 1/20 0.44
NTRK1 P04629 1/20 0.41
PDPK1 O15530 2/20 0.41
AKT2 P31751 1/20 0.41
JAK3 P52333 4/20 0.41
PLK4 O00444 1/20 0.39
PLK1 P53350 1/20 0.39
GSK3B P49841 3/20 0.39
ULK1 O75385 1/20 0.39
KIF15 Q9NS87 1/20 0.39

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
SCHEMBL3584603 0.93 MAP3K7 (0.46) RAF1TLK2ALDH1A1CYP1A2CYP3A4
SCHEMBL3582226 0.92 PDPK1 (0.47) RAF1TLK2ALDH1A1CYP1A2CYP3A4
SCHEMBL3578300 0.92 ALDH1A1 (0.45) RAF1TLK2ALDH1A1CYP1A2CYP3A4
SCHEMBL3584594 0.89 PDPK1 (0.48) RAF1TLK2ALDH1A1CYP1A2CYP3A4
SCHEMBL3575699 0.84 MAP3K7 (0.46) RAF1TLK2ALDH1A1CYP1A2CYP3A4
SCHEMBL3578296 0.84 ALDH1A1 (0.46) RAF1TLK2ALDH1A1CYP1A2CYP3A4
SCHEMBL3581640 0.84 RAF1 (0.42) RAF1TLK2NTRK1JAK3GSK3B
SCHEMBL4759187 0.83 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4MAP3K7TAB1
SCHEMBL3581212 0.81 NOX4 (0.46) RAF1TLK2PDPK1GSK3B
SCHEMBL3575692 0.81 MAP3K7 (0.47) RAF1TLK2ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 RAF1 172/4885TLK2 304/4885ALDH1A1 2605/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 RAF1 69/4885TLK2 363/4885ALDH1A1 2379/4885

“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.