SCHEMBL2192218

SCHEMBL2192218

Cc1ccc(Oc2ccc3nc(NC(=O)CO)sc3c2)cc1NC(=O)c1cccc(C2(C#N)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.48
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RIPK3 Q9Y572 5/20 0.42
RIPK1 Q13546 3/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM1A O60341 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL15510558 0.93 SCD (0.47) SCDTP53MAPTSMN1; SMN2RIPK3
SCHEMBL2191951 0.93 CASP2 (0.49) SCDTP53MAPTSMN1; SMN2RIPK3
SCHEMBL2855529 0.90 KDR (0.51) SCDTP53MAPTLMNABRAF
SCHEMBL2191884 0.90 LCK (0.53) SCDRIPK3RIPK1BRAFKDR
SCHEMBL2192970 0.90 ALDH1A1 (0.54) SCDSMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL2190583 0.89 SCD (0.46) SCDTP53MAPTSMN1; SMN2MEN1
SCHEMBL2189916 0.89 SCD (0.50) SCDTP53MAPTSMN1; SMN2RIPK3
SCHEMBL2193934 0.87 LCK (0.44) SCDTP53MAPTSMN1; SMN2NPC1
SCHEMBL2191789 0.86 SCD (0.46) SCDTP53MAPTSMN1; SMN2NPC1
SCHEMBL2194440 0.84 SCD (0.49) SCDMAPTNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181987-B9 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2181987-B1 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-8324395-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-8324395-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2181987-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-05 EP 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 (1 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-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 SCD 4583/4885TP53 82/4885MAPT 3535/4885

“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.