SCHEMBL15678350

SCHEMBL15678350

CC(=O)c1ccc2nccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)c2c1

nearest known ligand 0.87

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.87
MAPK14 Q16539 7/20 0.87
KDR P35968 3/20 0.87
GAK O14976 1/20 0.87
RIPK2 O43353 1/20 0.87
MAP4K4 O95819 1/20 0.87
ACVR1B P36896 1/20 0.87
TGFBR2 P37173 1/20 0.87
CSNK1A1 P48729 1/20 0.87
CSNK1D P48730 1/20 0.87
CSNK1E P49674 1/20 0.87
TGFB2 P61812 1/20 0.87
MINK1 Q8N4C8 1/20 0.87
COQ8A Q8NI60 1/20 0.87
TNIK Q9UKE5 1/20 0.87
RIPK3 Q9Y572 1/20 0.87
THRB P10828 6/20 0.73

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
SCHEMBL414159 0.95 TGFBR1 (0.87) TGFBR1MAPK14KDRGAKRIPK2
Galunisertib SCHEMBL12922153 0.93 TGFBR1 (1.00) TGFBR1MAPK14KDRGAKRIPK2
Galunisertib SCHEMBL29362145 0.93 TGFBR1 (1.00) TGFBR1MAPK14KDRGAKRIPK2
Galunisertib SCHEMBL29438525 0.92 TGFBR1 (0.98) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL373341 0.91 TGFBR1 (1.00) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL16695915 0.91 TGFBR1 (0.81) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL29773207 0.91 TGFBR1 (0.95) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL21702385 0.90 TGFBR1 (0.84) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL18347825 0.89 TGFBR1 (0.78) TGFBR1MAPK14KDRGAKRIPK2
SCHEMBL23852042 0.88 TGFBR1 (0.80) TGFBR1MAPK14KDRGAKRIPK2

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-20180117026-A1 COMBINATION THERAPY USING ENANTIOPURE, OXY-SUBSTITUTED, DEUTERIUM-ENRICHED 5-(BENZYL)-5-DEUTERO-THIAZOLIDINE-2,4-DIONES FOR TREATMENT OF MEDICAL DISORDERS DEUTERX, LLC 2018-05-03 US disclosed
US-20160375142-A1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS, INC. 2016-12-29 US disclosed
US-20140127228-A1 INHIBITION OF TGFBETA SIGNALING TO IMPROVE MUSCLE FUNCTION IN CANCER Indiana University School of Medicine (US) 2014-05-08 US disclosed
US-20140128349-A1 ADMINISTERING INHIBITORS OF TGFBETA SIGNALING IN COMBINATION WITH BENZOTHIAZEPINE DERIVATIVES TO IMPROVE MUSCLE FUNCTION IN CANCER PATIENTS Indiana University School of Medicine (US) 2014-05-08 US disclosed
US-20140128349-A1 ADMINISTERING INHIBITORS OF TGFBETA SIGNALING IN COMBINATION WITH BENZOTHIAZEPINE DERIVATIVES TO IMPROVE MUSCLE FUNCTION IN CANCER PATIENTS Indiana University School of Medicine (US) 2014-05-08 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 (4 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-20140127228-A1 INHIBITION OF TGFBETA SIGNALING TO IMPROVE MUSCLE FUNCTION IN CANCER MUSK, TGFBR1, TGFBR2 TGFBR1 2/4885MAPK14 1509/4885KDR 1477/4885
US-20160375142-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 TGFBR1 4466/4885MAPK14 2658/4885KDR 1715/4885
US-20140128349-A1 ADMINISTERING INHIBITORS OF TGFBETA SIGNALING IN COMBINATION WITH BENZOTHIAZEPINE DERIVATIVES TO IMPROVE MUSCLE FUNCTION IN CANCER PATIENTS TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885MAPK14 1802/4885KDR 3111/4885
US-20180117026-A1 COMBINATION THERAPY USING ENANTIOPURE, OXY-SUBSTITUTED, DEUTERIUM-ENRICHED 5-(BENZYL)-5-DEUTERO-THIAZOLIDINE-2,4-DIONES FOR TREATMENT OF MEDICAL DISORDERS PPARD, HNF4A, GLP1R TGFBR1 808/4885MAPK14 4254/4885KDR 3199/4885

“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.