SCHEMBL13322714

SCHEMBL13322714

COc1cc2c(cc1CO)C(=O)N(C(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 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
SCHEMBL10296104 0.85 MEN1 (0.65) MEN1KMT2AHRH3GRM5MAOA
SCHEMBL4316519 0.71 DRD2 (0.49) MEN1KMT2AGRM5GAASMN1; SMN2
SCHEMBL13322633 0.71 GRM5 (0.51) HRH3GRM5SMN1; SMN2KDM4EPARP1
SCHEMBL12043669 0.70 MEN1 (0.51) MEN1KMT2AHRH3GAAALDH1A1
SCHEMBL9666453 0.69 KMT2A (0.55) MEN1KMT2AMAOAMAOBSLC6A4
SCHEMBL5806359 0.68 GRM5 (0.41) MEN1KMT2AGRM5ALDH1A1
SCHEMBL30825440 0.67 PDE4A (0.39) MEN1KMT2AGRM5GAAPDE4D
SCHEMBL12628111 0.66 GRM5 (0.49) GRM5MAOAMAOBPARP1
SCHEMBL12831069 0.66 MEN1 (0.75) MEN1KMT2AGRM5GAASMN1; SMN2
SCHEMBL19887444 0.66 AHR (0.41) MEN1KMT2AGRM5

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 MEN1 3622/4885KMT2A 1743/4885HRH3 2548/4885

“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.

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