SCHEMBL15340845

SCHEMBL15340845

CC(C)c1cccc(-c2cnc3ccccc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.60
MAP4K4 O95819 1/20 0.57
CSNK1G2 P78368 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
MAP4K5 Q9Y4K4 1/20 0.57
CYP2A6 P11509 1/20 0.54
PDGFRB P09619 2/20 0.53
PDGFRA P16234 2/20 0.53
PIK3CD O00329 3/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 1/20 0.48
MTOR P42345 1/20 0.48
PIK3CG P48736 1/20 0.48
CDK8 P49336 1/20 0.47
CYP1A2 P05177 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL27631118 0.83 BIRC5 (0.77) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL30323720 0.83 BIRC5 (0.77) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL29377660 0.79 PDGFRB (0.53) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL2772360 0.79 PDGFRB (0.77) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL32667946 0.79 PDGFRB (0.77) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL18327501 0.79 BIRC5 (0.66) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL19467303 0.79 BIRC5 (0.66) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL15344108 0.79 BIRC5 (0.66) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL18079845 0.79 BIRC5 (0.66) BIRC5MAP4K4CSNK1G2CLK4MKNK2
SCHEMBL29378350 0.79 BIRC5 (0.66) BIRC5MAP4K4CSNK1G2CLK4MKNK2

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-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-9464096-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2016-10-11 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160024104-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-28 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-9006229-B2 Benzothiazole compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2015-04-14 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES, INC. (US) 2014-02-13 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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 (7 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BIRC5 570/4885MAP4K4 3571/4885CSNK1G2 1998/4885
US-20140045818-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE FURIN, NFATC1, RUNX1 BIRC5 1597/4885MAP4K4 903/4885CSNK1G2 1689/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 BIRC5 900/4885MAP4K4 1830/4885CSNK1G2 2466/4885
US-20160024104-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, NPC1 BIRC5 553/4885MAP4K4 741/4885CSNK1G2 2860/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BIRC5 570/4885MAP4K4 3571/4885CSNK1G2 1998/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BIRC5 570/4885MAP4K4 3571/4885CSNK1G2 1998/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 BIRC5 900/4885MAP4K4 1830/4885CSNK1G2 2466/4885

“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.