SCHEMBL3862949

SCHEMBL3862949

O=C1NC(=S)S/C1=C\c1ccc2ncncc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.69
PIK3CD O00329 2/20 0.69
CSNK2A2 P19784 2/20 0.69
PIK3CA P42336 2/20 0.69
PIK3CG P48736 2/20 0.69
CLK1 P49759 2/20 0.69
CSNK2B P67870 2/20 0.69
CSNK2A1 P68400 2/20 0.69
DYRK1A Q13627 2/20 0.69
HASPIN Q8TF76 2/20 0.69
DYRK2 Q92630 2/20 0.69
CLK4 Q9HAZ1 2/20 0.69
DYRK1B Q9Y463 2/20 0.69
CLK3 P49761 1/20 0.69
MYLK2 Q9H1R3 1/20 0.69
STK17A Q9UEE5 1/20 0.69
PRKCB P05771 1/20 0.60
MEN1 O00255 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL3862951 1.00 PIM1 (0.69) PIM1PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL6418533 0.85 MEN1 (0.51) PIM1PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL497536 0.81 PIM1 (1.00) PIM1PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL497535 0.81 PIM1 (1.00) PIM1PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL497027 0.78 CISD1 (0.77) PIM1PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL497028 0.78 CISD1 (0.77) PIM1PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL26094619 0.78 MEN1 (0.58) PIM1PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL14033097 0.77 DYRK3 (0.70) PIM1PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL1250384 0.75 PIM1 (1.00) PIM1PIK3CDCSNK2A2PIK3CAPIK3CG
SCHEMBL1250382 0.75 PIM1 (1.00) PIM1PIK3CDCSNK2A2PIK3CAPIK3CG

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 PIM1 496/4885PIK3CD 1067/4885CSNK2A2 232/4885

“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.