SCHEMBL14216367

SCHEMBL14216367

Nc1cnccc1N1CC[C@@H](N)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.50
ROCK1 Q13464 4/20 0.50
CDC42BPB Q9Y5S2 4/20 0.50
MAPT P10636 1/20 0.48
PIM2 Q9P1W9 10/20 0.46
PIM3 Q86V86 8/20 0.46
PIM1 P11309 8/20 0.46
PBK Q96KB5 1/20 0.44
CDC42BPA Q5VT25 1/20 0.43
AKT2 P31751 1/20 0.41
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL13354904 1.00 ROCK2 (0.50) ROCK2ROCK1CDC42BPBMAPTPIM2
SCHEMBL14216365 1.00 ROCK2 (0.50) ROCK2ROCK1CDC42BPBMAPTPIM2
SCHEMBL11908053 0.91 PIM2 (0.56) ROCK2ROCK1CDC42BPBPIM2PIM3
SCHEMBL11906992 0.91 PIM2 (0.56) ROCK2ROCK1CDC42BPBPIM2PIM3
SCHEMBL11906822 0.90 MAPT (0.54) ROCK2ROCK1CDC42BPBMAPTPIM2
SCHEMBL11907206 0.85 ROCK1 (0.52) ROCK2ROCK1CDC42BPBMAPTPIM2
SCHEMBL11906623 0.83 MAPT (0.47) MAPTPIM2PIM3PIM1
SCHEMBL20189967 0.83 MAPT (0.54) ROCK2ROCK1CDC42BPBMAPTPIM2
SCHEMBL16525705 0.83 ROCK2 (0.49) ROCK2ROCK1CDC42BPBMAPTPIM2
SCHEMBL16525708 0.83 ROCK2 (0.49) ROCK2ROCK1CDC42BPBMAPTPIM2

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
EP-2078004-B1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME (US) 2015-02-25 EP disclosed
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-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 ROCK2 794/4885ROCK1 1328/4885CDC42BPB 1072/4885

“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.