SCHEMBL1531473

SCHEMBL1531473

Cc1nc2c(s1)-c1nc(Nc3ccc(C(F)(F)F)cc3)ncc1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 1.00
CCNT1 O60563 14/20 1.00
CDK1 P06493 14/20 1.00
CCNB1 P14635 14/20 1.00
CCNE1 P24864 14/20 1.00
CDK9 P50750 14/20 1.00
CDK4 P11802 12/20 1.00
CCND1 P24385 12/20 1.00
CDK7 P50613 13/20 0.76
CCNH P51946 13/20 0.76
CCNA2 P20248 5/20 0.54
PLK1 P53350 2/20 0.54
CCNA1 P78396 2/20 0.54
AURKA O14965 1/20 0.54

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
SCHEMBL1531479 0.86 CDK2 (1.00) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL1531503 0.86 CDK2 (1.00) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL1531622 0.84 CDK2 (1.00) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL1531520 0.82 CDK2 (1.00) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL11295191 0.81 CDK2 (0.74) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL1531440 0.81 CDK2 (1.00) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL1531510 0.80 CDK2 (1.00) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL2279003 0.79 CCNT1 (0.67) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL1531474 0.78 CDK2 (1.00) CDK2CCNT1CDK1CCNB1CCNE1
SCHEMBL11295188 0.78 CDK2 (0.69) CDK2CCNT1CDK1CCNB1CCNE1

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 918/4885CDK1 72/4885

“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.