SCHEMBL13354922

SCHEMBL13354922

COc1ccc(-c2cnn(C)c2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.59
▸ ERN1 O75460 1/20 0.54
▸ PLAU P00749 1/20 0.51
▸ TTK P33981 8/20 0.50
▸ LRRK2 Q5S007 2/20 0.50
▸ GAK O14976 1/20 0.50
▸ CCNA2 P20248 2/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ PDGFRB P09619 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL16911398 0.87 PDGFRB (0.49) FYNERN1PLAUTTKLRRK2
SCHEMBL15889905 0.87 ERN1 (0.51) FYNERN1TTKLRRK2CCNA2
SCHEMBL13354891 0.85 TTK (0.53) FYNERN1TTKLRRK2CCNA2
SCHEMBL12492042 0.85 ALDH1A1 (0.62) FYNERN1PLAUTTKLRRK2
SCHEMBL26833391 0.85 ERN1 (0.47) FYNERN1PLAUTTKLRRK2
SCHEMBL16911390 0.85 LRRK2 (0.53) FYNERN1PLAUTTKLRRK2
SCHEMBL26123734 0.85 PIK3CD (0.49) FYNERN1PLAUTTKLRRK2
SCHEMBL15889368 0.83 LRRK2 (0.48) FYNERN1PLAUTTKLRRK2
SCHEMBL22641671 0.83 TTK (0.48) FYNERN1TTKLRRK2CCNA2
SCHEMBL24731504 0.83 PLAU (0.46) FYNERN1PLAUTTKLRRK2

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 FYN 143/4885ERN1 2762/4885PLAU 4065/4885

“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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