SCHEMBL1531501

SCHEMBL1531501

C=CCCOC(=O)Nc1ncc2c(n1)-c1sc(C)nc1CC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 16/20 0.54
CDK2 P24941 16/20 0.54
CDK9 P50750 16/20 0.54
CDK1 P06493 15/20 0.54
CCNB1 P14635 15/20 0.54
CCNE1 P24864 15/20 0.54
CDK7 P50613 14/20 0.54
CCNH P51946 14/20 0.54
CDK4 P11802 12/20 0.54
CCND1 P24385 12/20 0.54
CCNA2 P20248 1/20 0.37
PIK3CD O00329 4/20 0.36
PIK3CA P42336 4/20 0.36
PIK3CB P42338 4/20 0.36
PIK3CG P48736 4/20 0.36
PI4KB Q9UBF8 2/20 0.35
PIK3C3 Q8NEB9 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
SCHEMBL2848140 0.81 CCNT1 (0.67) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL1531614 0.75 CCNT1 (0.69) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL11295188 0.73 CDK2 (0.69) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL13373291 0.73 CDK2 (0.65) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL11942171 0.72 CDK2 (0.49) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL11300417 0.71 CDK2 (0.75) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL1532123 0.68 CDK2 (0.71) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL1531479 0.68 CDK2 (1.00) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL1531483 0.68 CDK2 (0.57) CCNT1CDK2CDK9CDK1CCNB1
SCHEMBL1532277 0.68 CCNT1 (0.67) CCNT1CDK2CDK9CDK1CCNB1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4653741-B2 2011-03-16 JP claimed
EP-1641805-B1 THIAZOLO-, OXAZALO AND IMIDAZOLO-QUINAZOLINE COMPOUNDS CAPABLE OF INHIBITING PROTEIN KINASES CYCLACEL LTD (GB) 2010-01-13 EP claimed
US-7576091-B2 Thiazolo-, oxazalo and imidazolo-quinazoline compounds capable of inhibiting protein kinases CYCLACEL LIMITED (GB) 2009-08-18 US claimed
JP-2007516202-A 2007-06-21 JP claimed
US-20060264628-A1 Thiazolo-, oxazalo and imidazolo-quinazoline compounds capable of inhibiting protein kinases CYCLACEL LIMITED (GB) 2006-11-23 US claimed
EP-1641805-A1 THIAZOLO-, OXAZALO AND IMIDAZOLO-QUINAZOLINE COMPOUNDS CAPABLE OF INHIBITING PROTEIN KINASES Cyclacel Limited (GB) 2006-04-05 EP claimed
WO-2005005438-A1 THIAZOLO-, OXAZALO AND IMIDAZOLO-QUINAZOLINE COMPOUNDS CAPABLE OF INHIBITING PROT EIN KINASES CYCLACEL LIMITED (GB) 2005-01-20 WO claimed
EP-1641805-B1 THIAZOLO-, OXAZALO AND IMIDAZOLO-QUINAZOLINE COMPOUNDS CAPABLE OF INHIBITING PROTEIN KINASES CYCLACEL LTD (GB) 2010-01-13 EP disclosed
EP-1641805-B1 THIAZOLO-, OXAZALO AND IMIDAZOLO-QUINAZOLINE COMPOUNDS CAPABLE OF INHIBITING PROTEIN KINASES CYCLACEL LTD (GB) 2010-01-13 EP disclosed
US-7576091-B2 Thiazolo-, oxazalo and imidazolo-quinazoline compounds capable of inhibiting protein kinases CYCLACEL LIMITED (GB) 2009-08-18 US disclosed
US-7576091-B2 Thiazolo-, oxazalo and imidazolo-quinazoline compounds capable of inhibiting protein kinases CYCLACEL LIMITED (GB) 2009-08-18 US disclosed
US-7576091-B2 Thiazolo-, oxazalo and imidazolo-quinazoline compounds capable of inhibiting protein kinases CYCLACEL LIMITED (GB) 2009-08-18 US disclosed
US-20060264628-A1 Thiazolo-, oxazalo and imidazolo-quinazoline compounds capable of inhibiting protein kinases CYCLACEL LIMITED (GB) 2006-11-23 US disclosed
EP-1641805-A1 THIAZOLO-, OXAZALO AND IMIDAZOLO-QUINAZOLINE COMPOUNDS CAPABLE OF INHIBITING PROTEIN KINASES Cyclacel Limited (GB) 2006-04-05 EP disclosed
WO-2005005438-A1 THIAZOLO-, OXAZALO AND IMIDAZOLO-QUINAZOLINE COMPOUNDS CAPABLE OF INHIBITING PROT EIN KINASES CYCLACEL LIMITED (GB) 2005-01-20 WO 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-20060264628-A1 Thiazolo-, oxazalo and imidazolo-quinazoline compounds capable of inhibiting protein kinases CDK10, CSNK1A1L, CDK20 CCNT1 918/4885CDK2 129/4885CDK9 41/4885

“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.