SCHEMBL13425459

SCHEMBL13425459

CC(C)NCc1ccc2cc[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.45
PARP1 P09874 3/20 0.43
ACACB O00763 1/20 0.43
BACE1 P56817 4/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
AHR P35869 3/20 0.42
CMA1 P23946 1/20 0.42
TYR P14679 1/20 0.42
ABL1 P00519 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
METTL3 Q86U44 1/20 0.39
METTL14 Q9HCE5 1/20 0.39

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
SCHEMBL13428865 0.87 KDM1A (0.47) PARP1AHRABL1GPR84
SCHEMBL15980816 0.84 BACE1 (0.46) NLRP3ACACBBACE1MEN1POLB
SCHEMBL1253354 0.81 NLRP3 (0.48) NLRP3BACE1MEN1POLBMAPK1
SCHEMBL13230520 0.77 ACACB (0.46) NLRP3ACACBBACE1MEN1POLB
SCHEMBL13230548 0.75 BACE1 (0.49) NLRP3ACACBBACE1MEN1POLB
SCHEMBL4501771 0.75 HTR2A (0.54) ACACBBACE1MEN1POLBMAPK1
SCHEMBL31271 0.74 AHR (0.50) NLRP3BACE1MEN1POLBMAPK1
SCHEMBL22584082 0.74 KDM1A (0.51) NLRP3BACE1AHRCMA1TYR
SCHEMBL27525744 0.74 NLRP3 (0.59) NLRP3ACACBKMT2AABL1TAS1R3
SCHEMBL27386418 0.73 MEN1 (0.46) NLRP3ACACBBACE1MEN1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-03-04 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-20100055090-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 NLRP3 667/4885PARP1 1389/4885ACACB 1395/4885

“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.