SCHEMBL29629217

SCHEMBL29629217

CNc1nccc(-c2sc(NC(=O)Nc3cccc(C(F)(F)F)c3)nc2C)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.58
TEK Q02763 3/20 0.58
MAPK14 Q16539 3/20 0.58
BRAF P15056 1/20 0.58
TNNI3K Q59H18 1/20 0.58
CDK2 P24941 8/20 0.52
CDK4 P11802 3/20 0.52
YES1 P07947 1/20 0.51
LCK P06239 2/20 0.49
JAK3 P52333 1/20 0.49
CCNA2 P20248 6/20 0.49
CCNT1 O60563 5/20 0.49
CDK9 P50750 5/20 0.49
CDK1 P06493 3/20 0.49
CCNB1 P14635 3/20 0.49
CDK7 P50613 3/20 0.49
CCNH P51946 3/20 0.49
CCNA1 P78396 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 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
SCHEMBL22684846 1.00 KDR (0.58) KDRTEKMAPK14BRAFTNNI3K
SCHEMBL23068620 0.89 CDK2 (0.57) KDRTEKMAPK14BRAFTNNI3K
SCHEMBL22684862 0.88 KDR (0.49) KDRTEKMAPK14BRAFTNNI3K
SCHEMBL29629250 0.88 KDR (0.49) KDRTEKMAPK14BRAFTNNI3K
SCHEMBL29629230 0.88 CDK2 (0.57) KDRTEKCDK2CDK4CCNA2
SCHEMBL23068638 0.88 CDK2 (0.57) KDRTEKCDK2CDK4CCNA2
SCHEMBL23068632 0.87 MAPT (0.47) KDRTEKMAPK14BRAFTNNI3K
SCHEMBL29629212 0.87 MAPT (0.47) KDRTEKMAPK14BRAFTNNI3K
SCHEMBL23068675 0.86 CDK2 (0.50) KDRTEKMAPK14BRAFTNNI3K
SCHEMBL23068661 0.86 CDK2 (0.50) KDRTEKMAPK14BRAFTNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111757881-B 5- (Pyrimidin-4-yl) thiazol-2-yl urea derivatives as therapeutic agents 澳升医药公司 2024-05-07 CN claimed
CN-111757881-B 5- (Pyrimidin-4-yl) thiazol-2-yl urea derivatives as therapeutic agents 澳升医药公司 2024-05-07 CN disclosed
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 KDR 3235/4885TEK 2224/4885MAPK14 446/4885
US-11325900-B2 5-(pyrimidin-4-yl)thiazol-2-yl urea derivatives as therapeutic agents CDK8, CDK18, CDK9 KDR 3235/4885TEK 2224/4885MAPK14 446/4885

“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.