SCHEMBL13322656

SCHEMBL13322656

CC(C)n1c(=O)n(C)c2ccncc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPD P32754 2/20 0.42
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MAPK14 Q16539 1/20 0.38
GSK3B P49841 2/20 0.36
NFATC1 O95644 1/20 0.36
DYRK1A Q13627 1/20 0.36
ADORA2B P29275 1/20 0.36
BRPF1 P55201 3/20 0.36
GABRA5 P31644 1/20 0.36
BRD4 O60885 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TGFBR1 P36897 1/20 0.34
ATM Q13315 2/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL13322657 0.93 MAPK14 (0.40) HPDUSP2HTTNCOA1NCOA3
SCHEMBL23119826 0.87 USP2 (0.43) USP2HTTNCOA1NCOA3GSK3B
SCHEMBL22017691 0.83 GRM4 (0.44) HPDUSP2HTTNCOA1NCOA3
SCHEMBL22016877 0.83 ADORA3 (0.41) HPDUSP2HTTNCOA1NCOA3
SCHEMBL31425940 0.81 PDE3B (0.44) HTTGSK3BNFATC1DYRK1ABRPF1
SCHEMBL12251818 0.81 PDE3B (0.44) HTTGSK3BNFATC1DYRK1ABRPF1
SCHEMBL12139324 0.76 SLC6A2 (0.50) HPDBRPF1BRD4CYP1A2
SCHEMBL23937826 0.75 DAO (0.46) GSK3BNFATC1DYRK1AADORA2BBRPF1
SCHEMBL12049021 0.72 HPD (0.42) HPDGSK3BNFATC1DYRK1AGABRA5
SCHEMBL12060489 0.72 KDM5A (0.46) HPDGABRA5CYP1A2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 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 (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-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 HPD 2781/4885USP2 2799/4885HTT 1043/4885

“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.