SCHEMBL4316519

SCHEMBL4316519

COc1ccc2c(c1)C(=O)N(C(C)C)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.49
▸ DRD1 P21728 4/20 0.49
▸ DRD5 P21918 4/20 0.49
▸ DRD3 P35462 3/20 0.49
▸ GRM5 P41594 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ SIGMAR1 Q99720 2/20 0.47
▸ ACHE P22303 1/20 0.47
▸ DRD4 P21917 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL13322633 0.88 GRM5 (0.51) DRD2DRD1DRD5DRD3GRM5
SCHEMBL13015321 0.85 ALDH1A1 (0.48) HTR2AHTR2CHTR2BACHEALDH1A1
SCHEMBL1036238 0.80 MEN1 (0.62) DRD2DRD1DRD5DRD3DRD4
SCHEMBL31438780 0.80 MEN1 (0.62) DRD2DRD1DRD5DRD3DRD4
SCHEMBL10296104 0.79 MEN1 (0.65) DRD1DRD5GRM5DRD4ALDH1A1
SCHEMBL18067757 0.79 HPGD (0.42) GRM5ALDH1A1HPGDKDM4E
SCHEMBL21784003 0.79 GRM5 (0.38) GRM5KMT2AMEN1
SCHEMBL19332857 0.79 PARP1 (0.44) GRM5HTR2AHTR2CHTR2BCYP1A2
SCHEMBL15893967 0.78 DRD1 (0.54) DRD2DRD1DRD5DRD3HTR2C
SCHEMBL24892629 0.77 DRD2 (0.58) DRD2DRD1DRD3HTR2AHTR2C

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 4 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
WO-2009118765-A2 NOVEL MONOAMINE RE-UPTAKE INHIBITOR PANACEA BIOTEC LIMITED (GB) 2009-10-01 — — WO disclosed
WO-2008054749-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 — — 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 (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 DRD2 4346/4885DRD1 4389/4885DRD5 3880/4885

“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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