SCHEMBL3864349

SCHEMBL3864349

CCOc1ncnc2ccc(/C=C3/SC(NCCc4cccc(F)c4)=NC3=O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.48
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
XDH P47989 1/20 0.37
ALOX5 P09917 2/20 0.36
AURKA O14965 1/20 0.36
NTRK1 P04629 1/20 0.36
GAA P10253 1/20 0.35
ADORA1 P30542 1/20 0.35
CLK4 Q9HAZ1 2/20 0.34
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
CSNK2A2 P19784 2/20 0.33
CSNK2A1 P68400 2/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
GPR84 Q9NQS5 1/20 0.32

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
SCHEMBL3864350 1.00 CISD1 (0.48) CISD1MEN1KMT2AXDHALOX5
SCHEMBL3868935 1.00 CISD1 (0.48) CISD1MEN1KMT2AXDHALOX5
SCHEMBL3862753 0.88 CISD1 (0.44) CISD1MEN1KMT2AXDHALOX5
SCHEMBL3862750 0.88 CISD1 (0.44) CISD1MEN1KMT2AXDHALOX5
SCHEMBL13897315 0.88 CISD1 (0.44) CISD1MEN1KMT2AXDHALOX5
SCHEMBL5505339 0.87 CISD1 (0.48) CISD1MEN1KMT2AXDHALOX5
SCHEMBL5505342 0.87 CISD1 (0.48) CISD1MEN1KMT2AXDHALOX5
SCHEMBL14437310 0.87 CISD1 (0.48) CISD1MEN1KMT2AXDHALOX5
SCHEMBL14452267 0.83 CISD1 (0.46) CISD1MEN1KMT2AXDHALOX5
SCHEMBL5505672 0.83 CISD1 (0.46) CISD1MEN1KMT2AXDHALOX5

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 CISD1 1093/4885MEN1 1847/4885KMT2A 1225/4885

“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.