SCHEMBL29629216

SCHEMBL29629216

CSc1nccc(-c2sc(NC(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)nc2C)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.54
CDK1 P06493 1/20 0.54
CDK2 P24941 1/20 0.54
SRC P12931 6/20 0.53
ABL1 P00519 9/20 0.53
CCNC P24863 1/20 0.48
FGFR4 P22455 3/20 0.48
NTRK1 P04629 1/20 0.48
TEK Q02763 1/20 0.48
NTRK2 Q16620 1/20 0.48
RET P07949 1/20 0.48
STAT3 P40763 1/20 0.47
ABL2 P42684 2/20 0.47
MAPK14 Q16539 2/20 0.47
BRAF P15056 1/20 0.47
KIT P10721 1/20 0.46

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
SCHEMBL23068668 1.00 CDK8 (0.54) CDK8CDK1CDK2SRCABL1
SCHEMBL22684885 0.93 ABL1 (0.47) CDK8CDK1CDK2SRCABL1
SCHEMBL29629206 0.93 ABL1 (0.47) CDK8CDK1CDK2SRCABL1
SCHEMBL23068658 0.92 CDK8 (0.49) CDK8CDK1CDK2SRCABL1
SCHEMBL29629204 0.92 CDK8 (0.49) CDK8CDK1CDK2SRCABL1
SCHEMBL29629194 0.92 ABL1 (0.46) CDK8CDK1CDK2SRCABL1
SCHEMBL23068641 0.92 ABL1 (0.46) CDK8CDK1CDK2SRCABL1
SCHEMBL23068646 0.89 CDK8 (0.59) CDK8CDK1CDK2SRCABL1
SCHEMBL22684847 0.89 ABL1 (0.56) CDK8CDK1CDK2SRCABL1
SCHEMBL29629196 0.89 ABL1 (0.56) CDK8CDK1CDK2SRCABL1

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 2 patents. 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
US-11325900-B2 5-(pyrimidin-4-yl)thiazol-2-yl urea derivatives as therapeutic agents AUCENTRA HOLDINGS PTY LTD (AU) 2022-05-10 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-20230092876-A1 5-(PYRIMIDIN-4-YL)THIAZOL-2-YL UREA DERIVATIVES AS THERAPEUTIC AGENTS CDK8, CDK18, CDK9 CDK8 1/4885CDK1 17/4885CDK2 8/4885
US-11325900-B2 5-(pyrimidin-4-yl)thiazol-2-yl urea derivatives as therapeutic agents CDK8, CDK18, CDK9 CDK8 1/4885CDK1 17/4885CDK2 8/4885

“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.