SCHEMBL3861864

SCHEMBL3861864

O=C1N=C(Nc2cccc(F)c2)S/C1=C\c1ccc2ncncc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
XDH P47989 1/20 0.44
CISD1 Q9NZ45 1/20 0.43
CSNK2A2 P19784 4/20 0.39
CSNK2B P67870 4/20 0.39
CSNK2A1 P68400 4/20 0.39
ALOX5 P09917 1/20 0.38
CD38 P28907 1/20 0.37
PIM1 P11309 3/20 0.36
PIM2 Q9P1W9 1/20 0.36
EGFR P00533 5/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
DYRK3 O43781 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
MAPT P10636 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL3866465 0.85 CISD1 (0.49) MEN1KMT2AXDHCISD1CSNK2A2
SCHEMBL3870857 0.85 CISD1 (0.49) MEN1KMT2AXDHCISD1CSNK2A2
SCHEMBL3862696 0.83 CISD1 (0.47) MEN1KMT2AXDHCISD1CSNK2A2
SCHEMBL3862692 0.83 CISD1 (0.47) MEN1KMT2AXDHCISD1CSNK2A2
SCHEMBL4157218 0.82 CISD1 (0.41) MEN1KMT2AXDHCISD1CSNK2A2
SCHEMBL4157222 0.82 CISD1 (0.41) MEN1KMT2AXDHCISD1CSNK2A2
SCHEMBL3866428 0.81 CISD1 (0.41) MEN1KMT2ACISD1ALOX5EGFR
SCHEMBL3862770 0.81 CISD1 (0.41) MEN1KMT2ACISD1ALOX5EGFR
SCHEMBL3864238 0.78 CLK1 (0.35) MEN1KMT2ACISD1CSNK2A2CSNK2B
SCHEMBL3874063 0.78 CLK1 (0.35) MEN1KMT2ACISD1CSNK2A2CSNK2B

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 6 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 disclosed
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
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 MEN1 1847/4885KMT2A 1225/4885XDH 2846/4885

“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.