SCHEMBL525752

SCHEMBL525752

CCOC(=O)c1onc2c1CCc1cnc(Nc3ccc(Br)cc3OC)nc1-2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTK P33981 13/20 0.54
PLK1 P53350 6/20 0.45
CCNA2 P20248 4/20 0.45
CDK2 P24941 4/20 0.45
CCNA1 P78396 4/20 0.45
PLK3 Q9H4B4 2/20 0.45
PLK2 Q9NYY3 2/20 0.45
AURKA O14965 5/20 0.45
CDK4 P11802 1/20 0.45
CCND3 P30281 1/20 0.45
CDK6 Q00534 1/20 0.45
IGF1R P08069 3/20 0.44
PIM1 P11309 1/20 0.44
EIF2AK3 Q9NZJ5 1/20 0.42
EGFR P00533 1/20 0.42

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
SCHEMBL15377850 0.95 TTK (0.60) TTKPLK1CCNA2CDK2CCNA1
SCHEMBL526272 0.92 TTK (0.57) TTKPLK1CCNA2CDK2CCNA1
SCHEMBL526270 0.89 IGF1R (0.52) TTKPLK1CCNA2CDK2CCNA1
SCHEMBL525856 0.89 TTK (0.57) TTKPLK1CCNA2CDK2CCNA1
SCHEMBL526113 0.89 TTK (0.53) TTKPLK1CCNA2CDK2CCNA1
SCHEMBL523963 0.86 TTK (0.48) TTKPLK1CCNA2CDK2CCNA1
SCHEMBL525576 0.86 TTK (0.55) TTKPLK1CCNA2CDK2CCNA1
SCHEMBL526080 0.86 TTK (0.69) TTKPLK1CCNA2CDK2CCNA1
SCHEMBL525746 0.84 TTK (0.71) TTKPLK1CCNA2CDK2CCNA1
SCHEMBL12698308 0.84 TTK (0.59) TTKPLK1CCNA2CDK2CCNA1

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 341/4885PLK1 183/4885CCNA2 3027/4885

“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.