SCHEMBL3864864

SCHEMBL3864864

COc1ccc(NC2=NC(=O)/C(=C/c3ccc4ncncc4c3)S2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.46
ALOX5 P09917 9/20 0.43
NPC1 O15118 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL3865230 1.00 EGFR (0.46) EGFRALOX5NPC1NCOA1NCOA3
SCHEMBL3866428 0.90 CISD1 (0.41) EGFRALOX5ALDH1A1MAPTHTT
SCHEMBL3862770 0.90 CISD1 (0.41) EGFRALOX5ALDH1A1MAPTHTT
SCHEMBL3861867 0.82 MEN1 (0.43) ALOX5ALDH1A1MAPTHTTMEN1
SCHEMBL3861872 0.82 MEN1 (0.43) ALOX5ALDH1A1MAPTHTTMEN1
SCHEMBL5088271 0.76 PIK3CD (0.44) ALOX5MEN1KMT2APOLBL3MBTL1
SCHEMBL4157222 0.75 CISD1 (0.41) EGFRALOX5HTTMEN1KMT2A
SCHEMBL3874063 0.75 CLK1 (0.35) EGFRALOX5NPC1MAPTHTT
SCHEMBL3864238 0.75 CLK1 (0.35) EGFRALOX5NPC1MAPTHTT
SCHEMBL4157218 0.75 CISD1 (0.41) EGFRALOX5HTTMEN1KMT2A

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 EGFR 1674/4885ALOX5 4757/4885NPC1 3200/4885

“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.