SCHEMBL526113

SCHEMBL526113

CCOC(=O)c1noc2c1CCc1cnc(Nc3ccc(Br)cc3OC)nc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 13/20 0.53
CCNA2 P20248 5/20 0.46
CDK2 P24941 5/20 0.46
CCNA1 P78396 5/20 0.46
CDK4 P11802 1/20 0.46
CCND3 P30281 1/20 0.46
CDK6 Q00534 1/20 0.46
PLK1 P53350 7/20 0.44
PLK3 Q9H4B4 3/20 0.44
PLK2 Q9NYY3 3/20 0.44
AURKA O14965 5/20 0.44
IGF1R P08069 2/20 0.43
PIM1 P11309 1/20 0.43
EIF2AK3 Q9NZJ5 1/20 0.42
RPS6KA4 O75676 1/20 0.41
CDK1 P06493 1/20 0.41
KIT P10721 1/20 0.41
IMPDH2 P12268 1/20 0.41
CCNB1 P14635 1/20 0.41
CSNK2A2 P19784 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
SCHEMBL12698308 0.95 TTK (0.59) TTKCCNA2CDK2CCNA1CDK4
SCHEMBL525465 0.93 TTK (0.56) TTKCCNA2CDK2CCNA1PLK1
SCHEMBL525784 0.90 IGF1R (0.51) TTKCCNA2CDK2CCNA1CDK4
SCHEMBL525752 0.89 TTK (0.54) TTKCCNA2CDK2CCNA1CDK4
SCHEMBL526320 0.87 TTK (0.49) TTKCCNA2CDK2CCNA1CDK4
SCHEMBL525524 0.86 TTK (0.69) TTKCCNA2CDK2CCNA1PLK1
SCHEMBL526451 0.85 TTK (0.71) TTKCCNA2CDK2CCNA1PLK1
SCHEMBL12499646 0.84 TTK (0.63) TTKCCNA2CDK2CCNA1PLK1
SCHEMBL1558508 0.84 TTK (0.72) TTKCCNA2CDK2CCNA1CDK4
SCHEMBL15377850 0.84 TTK (0.60) TTKCCNA2CDK2CCNA1PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9333205-B2 Isoxazolo-quinazolines as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-10 US disclosed
US-9333205-B2 Isoxazolo-quinazolines as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-10 US disclosed
US-9333205-B2 Isoxazolo-quinazolines as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-10 US disclosed
EP-2598508-B1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-22 EP disclosed
EP-2598508-B1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-22 EP disclosed
US-20130143896-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-06 US disclosed
US-20130143896-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-06 US disclosed
US-20130143896-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-06 US disclosed
EP-2598508-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY Nerviano Medical Sciences S.r.l. (IT) 2013-06-05 EP disclosed
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 WO disclosed
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 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-20130143896-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY CSNK1A1, RPS6KA1, CSNK2A1 TTK 341/4885CCNA2 3027/4885CDK2 406/4885

“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.