SCHEMBL5345065

SCHEMBL5345065

CCn1nc(C)cc1C(=O)C(Oc1cccc(NC(=O)Nc2csc(-c3ccncc3)n2)n1)C1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.41
CDK5R1 Q15078 9/20 0.41
SMYD3 Q9H7B4 2/20 0.40
DYRK1A Q13627 1/20 0.36
ROCK1 Q13464 1/20 0.36
POLQ O75417 1/20 0.35
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CCNA1 P78396 3/20 0.32
CHEK1 O14757 1/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ3 P48549 1/20 0.31

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
SCHEMBL5355037 0.89 CDK5 (0.41) CDK5CDK5R1SMYD3DYRK1AROCK1
SCHEMBL5342113 0.86 CDK5 (0.46) CDK5CDK5R1DYRK1AROCK1POLQ
SCHEMBL5338130 0.84 CDK5 (0.45) CDK5CDK5R1DYRK1AROCK1POLQ
SCHEMBL5342649 0.82 CDK5 (0.52) CDK5CDK5R1DYRK1AROCK1POLQ
SCHEMBL6867013 0.81 CDK5 (0.47) CDK5CDK5R1DYRK1AROCK1POLQ
SCHEMBL5342249 0.81 CDK5 (0.43) CDK5CDK5R1DYRK1AROCK1POLQ
SCHEMBL5342095 0.81 CDK5 (0.43) CDK5CDK5R1DYRK1AROCK1POLQ
SCHEMBL5345465 0.80 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1POLQ
SCHEMBL5345480 0.80 CDK5 (0.45) CDK5CDK5R1DYRK1AROCK1POLQ
SCHEMBL5354577 0.80 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
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 (2 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 359/4885SMYD3 1300/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885SMYD3 1300/4885

“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.