SCHEMBL1531440

SCHEMBL1531440

COc1ccc(Nc2ncc3c(n2)-c2sc(C)nc2CC3)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 1.00
CCNT1 O60563 15/20 1.00
CDK9 P50750 15/20 1.00
CDK1 P06493 14/20 1.00
CCNB1 P14635 14/20 1.00
CCNE1 P24864 14/20 1.00
CDK7 P50613 13/20 1.00
CCNH P51946 13/20 1.00
CDK4 P11802 12/20 1.00
CCND1 P24385 12/20 1.00
IGF1R P08069 1/20 0.42
CCNA2 P20248 4/20 0.41
AURKA O14965 1/20 0.41
PLK1 P53350 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41

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
SCHEMBL2355682 0.88 CDK2 (0.79) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2356752 0.86 CDK2 (0.75) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL1531520 0.85 CDK2 (1.00) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL1531479 0.82 CDK2 (1.00) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL1531503 0.82 CDK2 (1.00) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2363856 0.82 CCNT1 (0.69) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL2283602 0.82 CDK2 (0.69) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL1531622 0.81 CDK2 (1.00) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL1531473 0.81 CDK2 (1.00) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL11295191 0.80 CDK2 (0.74) CDK2CCNT1CDK9CDK1CCNB1

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 CDK2 129/4885CCNT1 918/4885CDK9 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.