SCHEMBL3868504

SCHEMBL3868504

CCOc1nc(NC)nc2ccc(C=C3SC(NCc4ccc(F)cc4Cl)=NC3=O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.41
ALOX5 P09917 5/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
GAA P10253 1/20 0.33
CTNNB1 P35222 1/20 0.33
TCF7L2 Q9NQB0 1/20 0.33
JAK3 P52333 1/20 0.32
P2RX7 Q99572 1/20 0.32
ARNT P27540 1/20 0.31
EPAS1 Q99814 1/20 0.31
SLC2A1 P11166 1/20 0.31
CHEK1 O14757 1/20 0.30
DAPK3 O43293 1/20 0.30
PRKD3 O94806 1/20 0.30
PIM1 P11309 1/20 0.30
MAPK8 P45983 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CDK8 P49336 1/20 0.30
CLK2 P49760 1/20 0.30

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
SCHEMBL13897380 1.00 CISD1 (0.41) CISD1ALOX5MEN1KMT2AGAA
SCHEMBL3868501 1.00 CISD1 (0.41) CISD1ALOX5MEN1KMT2AGAA
SCHEMBL3865373 0.90 ALOX5 (0.39) CISD1ALOX5MEN1KMT2AGAA
SCHEMBL3865368 0.90 ALOX5 (0.39) CISD1ALOX5MEN1KMT2AGAA
SCHEMBL13897302 0.90 ALOX5 (0.39) CISD1ALOX5MEN1KMT2AGAA
SCHEMBL13897303 0.86 CISD1 (0.38) CISD1ALOX5MEN1KMT2AGAA
SCHEMBL3862679 0.86 CISD1 (0.38) CISD1ALOX5MEN1KMT2AGAA
SCHEMBL3862680 0.86 CISD1 (0.38) CISD1ALOX5MEN1KMT2AGAA
SCHEMBL5512359 0.86 CISD1 (0.37) CISD1ALOX5MEN1KMT2ACTNNB1
SCHEMBL13897286 0.83 CISD1 (0.36) CISD1ALOX5MEN1KMT2AGAA

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 8 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
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 disclosed
EP-1802614-A1 QUINAZOLINYLMETHYLENETHIAZOLINONES AS CDK1 INHIBITORS F. Hoffmann-Roche AG (CH) 2007-07-04 EP disclosed
WO-2006040050-A1 QUINAZOLINYLMETHYLENE THIAZOLINONES AS CDK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO disclosed
US-20060084804-A1 Quinazoline thiazolinones CHEN LI 2006-04-20 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-20060084804-A1 Quinazoline thiazolinones CDK1, CDK14, CDK18 CISD1 1093/4885ALOX5 4757/4885MEN1 1847/4885

“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.