SCHEMBL6867013

SCHEMBL6867013

CCC(Oc1cccc(NC(=O)Nc2csc(-c3ccncc3)n2)n1)C1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.47
CDK5R1 Q15078 8/20 0.47
ROCK1 Q13464 3/20 0.43
DYRK1A Q13627 1/20 0.41
CCNA2 P20248 3/20 0.38
CDK2 P24941 3/20 0.38
CCNA1 P78396 3/20 0.38
POLQ O75417 1/20 0.38
GPR142 Q7Z601 1/20 0.35
CHEK1 O14757 1/20 0.35
PIM1 P11309 2/20 0.33
PIM3 Q86V86 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
NPY5R Q15761 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKCI P41743 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL5345465 0.89 CDK5 (0.49) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5342710 0.86 CDK5 (0.52) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5345581 0.86 CDK5 (0.47) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5348467 0.84 CDK5 (0.52) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5342649 0.83 CDK5 (0.52) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5354577 0.82 CDK5 (0.53) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5342249 0.82 CDK5 (0.43) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5342113 0.82 CDK5 (0.46) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5345065 0.81 CDK5 (0.41) CDK5CDK5R1ROCK1DYRK1ACCNA2
SCHEMBL5345480 0.81 CDK5 (0.45) CDK5CDK5R1ROCK1DYRK1ACCNA2

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-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 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-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885ROCK1 3731/4885

“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.