SCHEMBL3575692

SCHEMBL3575692

NC(=O)c1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2cccc(O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.47
TAB1 Q15750 2/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
PARP1 P09874 1/20 0.41
PDPK1 O15530 3/20 0.40
PLK4 O00444 1/20 0.39
PLK1 P53350 1/20 0.39
AKT2 P31751 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL3578296 0.95 ALDH1A1 (0.46) MAP3K7TAB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3584594 0.93 PDPK1 (0.48) MAP3K7TAB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3575699 0.91 MAP3K7 (0.46) MAP3K7TAB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3578300 0.90 ALDH1A1 (0.45) MAP3K7TAB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3582226 0.88 PDPK1 (0.47) MAP3K7TAB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3580088 0.87 ALDH1A1 (0.47) MAP3K7TAB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3570002 0.87 AKT2 (0.39) MAP3K7TAB1PDPK1AKT2MAPT
SCHEMBL3580084 0.87 ALDH1A1 (0.47) MAP3K7TAB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3582324 0.85 NTRK3 (0.47) MAP3K7TAB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3582327 0.85 NTRK3 (0.47) MAP3K7TAB1ALDH1A1CYP1A2CYP3A4

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-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
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 MAP3K7 10/4885TAB1 114/4885ALDH1A1 2605/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 MAP3K7 15/4885TAB1 453/4885ALDH1A1 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.