SCHEMBL3861867

SCHEMBL3861867

CCOc1ccccc1NC1=NC(=O)/C(=C/c2ccc3ncncc3c2)S1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
GAA P10253 2/20 0.43
ALOX5 P09917 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
AHR P35869 1/20 0.36
POLB P06746 1/20 0.36
MAPK10 P53779 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL3861872 1.00 MEN1 (0.43) MEN1KMT2AGAAALOX5SMN1; SMN2
SCHEMBL3862770 0.83 CISD1 (0.41) MEN1KMT2AGAAALOX5HTT
SCHEMBL3866428 0.83 CISD1 (0.41) MEN1KMT2AGAAALOX5HTT
SCHEMBL3864864 0.82 EGFR (0.46) MEN1KMT2AALOX5SMN1; SMN2HTT
SCHEMBL3865230 0.82 EGFR (0.46) MEN1KMT2AALOX5SMN1; SMN2HTT
SCHEMBL4157222 0.77 CISD1 (0.41) MEN1KMT2AALOX5HTTCISD1
SCHEMBL4157218 0.77 CISD1 (0.41) MEN1KMT2AALOX5HTTCISD1
SCHEMBL3861864 0.76 MEN1 (0.44) MEN1KMT2AALOX5SMN1; SMN2CISD1
SCHEMBL3864238 0.75 CLK1 (0.35) MEN1KMT2AALOX5HTTMAPK1
SCHEMBL3874063 0.75 CLK1 (0.35) MEN1KMT2AALOX5HTTMAPK1

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 10 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
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 1225/4885GAA 3670/4885

“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.