SCHEMBL13355035

SCHEMBL13355035

COCCOc1cccc2c1n(C)c(=O)n2C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.51
GAA P10253 3/20 0.49
BRPF1 P55201 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TSHR P16473 4/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.42
PDE5A O76074 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.38
KCNA3 P22001 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BRD1 O95696 1/20 0.36

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
SCHEMBL13355128 0.96 BRD4 (0.48) BRD4GAABRPF1SMN1; SMN2TSHR
SCHEMBL16519552 0.87 GAA (0.45) BRD4GAABRPF1SMN1; SMN2TSHR
SCHEMBL13322660 0.85 BRPF1 (0.43) BRD4GAABRPF1SMN1; SMN2TSHR
SCHEMBL16519645 0.84 GAA (0.43) BRD4GAABRPF1SMN1; SMN2TSHR
SCHEMBL16519557 0.83 GAA (0.42) BRD4GAABRPF1SMN1; SMN2TSHR
SCHEMBL13322661 0.82 BRPF1 (0.41) BRD4GAABRPF1SMN1; SMN2TSHR
SCHEMBL16519640 0.81 GAA (0.40) BRD4GAASMN1; SMN2TSHRLMNA
SCHEMBL13355126 0.80 CYP19A1 (0.50) BRD4GAABRPF1ALDH1A1HTT
SCHEMBL13062563 0.78 MAOB (0.50) BRD4GAAALDH1A1HTT
SCHEMBL14216361 0.72 GAA (0.38) GAABRPF1SMN1; SMN2TSHRLMNA

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 BRD4 860/4885GAA 3421/4885BRPF1 2837/4885

“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.