SCHEMBL1696356

SCHEMBL1696356

CCOC(=O)c1cccc(-c2cnc3sc(N)nc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
SYK P43405 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BTK Q06187 1/20 0.43
ITK Q08881 1/20 0.43
DYRK3 O43781 1/20 0.43
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDK5R1 Q15078 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43

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
SCHEMBL13580027 0.87 CYP2C9 (0.47) ALDH1A1HSD17B10NPC1RAB9AMAPT
SCHEMBL1279773 0.82 RAB9A (0.51) ALDH1A1HSD17B10NPC1RAB9AMAPT
SCHEMBL1278990 0.81 RIPK3 (0.50) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1696415 0.77 MEN1 (0.47) ALDH1A1NPC1RAB9AMAPTCCNT1
SCHEMBL1279082 0.76 BTK (0.46) ALDH1A1NPC1RAB9ASYKMAPT
SCHEMBL29617015 0.75 TP53 (0.62) ALDH1A1NPC1RAB9AMAPTTP53
SCHEMBL7157646 0.74 MAP4K4 (0.51) ALDH1A1NPC1RAB9ASYKMAPT
SCHEMBL12592133 0.74 MAPT (0.55) ALDH1A1HSD17B10NPC1RAB9AMAPT
SCHEMBL4193217 0.74 TP53 (0.61) TP53
SCHEMBL28876886 0.73 SYK (0.52) NPC1SYKTP53BTKITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505784-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-29 US disclosed
US-9505784-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-29 US disclosed
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-02 US disclosed
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-02 US disclosed
US-8765747-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-07-01 US disclosed
US-8765747-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-07-01 US disclosed
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-12 US disclosed
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-12 US disclosed
WO-2010144909-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-16 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-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES OAT, OTC, DLD ALDH1A1 394/4885HSD17B10 543/4885NPC1 16/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT ALDH1A1 610/4885HSD17B10 727/4885NPC1 39/4885

“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.