SCHEMBL6835430

SCHEMBL6835430

O=C(Nc1csc(-c2ccncc2)c1)Nc1cccc(N2CCC(NCc3ccccc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.50
CDK5R1 Q15078 3/20 0.50
VCP P55072 2/20 0.41
CNR1 P21554 5/20 0.40
ROCK1 Q13464 3/20 0.40
PRKACA P17612 1/20 0.40
DRD4 P21917 2/20 0.38
ROCK2 O75116 2/20 0.38
TACR1 P25103 1/20 0.38
DRD2 P14416 2/20 0.37
HTR1A P08908 1/20 0.37
DRD3 P35462 1/20 0.36
BLM P54132 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL5338289 0.87 CDK5 (0.67) CDK5CDK5R1VCPROCK1DRD4
SCHEMBL5345415 0.76 CDK5 (0.68) CDK5CDK5R1ROCK1DRD4DRD2
SCHEMBL5352789 0.75 CDK5 (0.69) CDK5CDK5R1ROCK1DRD4ROCK2
SCHEMBL5346446 0.71 CDK5 (0.75) CDK5CDK5R1ROCK1
SCHEMBL5345330 0.71 CDK5 (0.74) CDK5CDK5R1ROCK1DRD4DRD2
SCHEMBL5690422 0.69 CDK5 (0.81) CDK5CDK5R1CNR1ROCK1CNR2
SCHEMBL5345136 0.68 CDK5 (0.80) CDK5CDK5R1ROCK1
SCHEMBL5692115 0.67 CDK5 (1.00) CDK5CDK5R1ROCK1
SCHEMBL5347393 0.67 CDK5 (0.78) CDK5CDK5R1ROCK1ROCK2
SCHEMBL5347774 0.67 CDK5 (0.78) CDK5CDK5R1CNR1ROCK1BLM

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-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 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-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CDK5 64/4885CDK5R1 359/4885VCP 934/4885

“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.