SCHEMBL30199424

SCHEMBL30199424

CNc1nccc(-c2sc(NC(N)=O)nc2C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.56
CDK4 P11802 8/20 0.56
CCNA2 P20248 7/20 0.56
PLK1 P53350 1/20 0.56
CDK9 P50750 11/20 0.51
CCNT1 O60563 6/20 0.51
CDK1 P06493 8/20 0.50
CDK7 P50613 7/20 0.50
CCNB1 P14635 3/20 0.50
CCNH P51946 3/20 0.50
CCNA1 P78396 2/20 0.50
AURKA O14965 5/20 0.49
AURKB Q96GD4 5/20 0.49
WEE1 P30291 1/20 0.49
ALK Q9UM73 1/20 0.49
PIK3CA P42336 6/20 0.47
PIK3CD O00329 4/20 0.47
PIK3CB P42338 4/20 0.47
PIK3CG P48736 4/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL1893280 0.89 CDK2 (0.57) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL1890923 0.83 PIK3CG (0.60) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL22684851 0.82 CDK2 (0.56) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL23068648 0.82 CDK2 (0.55) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL23068687 0.81 SMN1; SMN2 (0.59) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL23068667 0.81 CDK2 (0.55) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL29629247 0.80 CDK2 (0.51) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL22684844 0.80 CDK2 (0.51) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL23068638 0.79 CDK2 (0.57) CDK2CDK4CCNA2PLK1CDK9
SCHEMBL22684849 0.79 CDK2 (0.56) CDK2CDK4CCNA2PLK1CDK9

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-20230092876-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS AUCENTRA THERAPEUTICS PTY LTD (AU) 2023-03-23 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-20230092876-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS CDK8, CDK18, CDK9 CDK2 8/4885CDK4 13/4885CCNA2 34/4885

“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.