SCHEMBL3862822

SCHEMBL3862822

O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncncc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
PRKCD Q05655 2/20 0.42
AURKA O14965 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNA2 P20248 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
AURKB Q96GD4 1/20 0.42
CLK4 Q9HAZ1 7/20 0.38
CYP1A2 P05177 13/20 0.37

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
SCHEMBL3862708 1.00 MAPK1 (0.42) MAPK1CDK1CCNB1PRKCDAURKA
SCHEMBL18076584 0.87 CDK1 (0.56) MAPK1CDK1CCNB1PRKCDAURKA
SCHEMBL16549951 0.87 CDK1 (0.56) MAPK1CDK1CCNB1PRKCDAURKA
SCHEMBL29361670 0.87 CDK1 (0.56) MAPK1CDK1CCNB1PRKCDAURKA
SCHEMBL4874056 0.87 CDK1 (0.56) MAPK1CDK1CCNB1PRKCDAURKA
SCHEMBL3870857 0.81 CISD1 (0.49) CLK4MEN1KMT2A
SCHEMBL3866465 0.81 CISD1 (0.49) CLK4MEN1KMT2A
SCHEMBL14437203 0.79 CDK1 (0.40) MAPK1CDK1CCNB1PRKCDAURKA
SCHEMBL3864238 0.79 CLK1 (0.35) MAPK1CDK1CCNB1PRKCDAURKA
SCHEMBL3874063 0.79 CLK1 (0.35) MAPK1CDK1CCNB1PRKCDAURKA

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
US-7501428-B2 e.g. 2-(1-hydroxymethyl-2-phenyl-ethylamino)-5-[1-quinazolin-6-yl-methylidene]-thiazol-4-one; cyclin-dependent kinases (CDKs)/serine-threonine protein kinases inhibitor; antiproliferative, anticarcinogenic, antitumor agent HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US claimed
EP-1802614-A1 QUINAZOLINYLMETHYLENETHIAZOLINONES AS CDK1 INHIBITORS F. Hoffmann-Roche AG (CH) 2007-07-04 EP claimed
WO-2006040050-A1 QUINAZOLINYLMETHYLENE THIAZOLINONES AS CDK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO claimed
US-20060084804-A1 Quinazoline thiazolinones CHEN LI 2006-04-20 US claimed

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-20060084804-A1 Quinazoline thiazolinones CDK1, CDK14, CDK18 MAPK1 730/4885CDK1 1/4885CCNB1 46/4885

“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.