SCHEMBL526773

SCHEMBL526773

COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1noc(C(N)=O)c1CC2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.76
PLK3 Q9H4B4 4/20 0.76
PLK2 Q9NYY3 3/20 0.76
CCNA2 P20248 2/20 0.76
CDK2 P24941 2/20 0.76
CCNA1 P78396 2/20 0.76
TTK P33981 9/20 0.71
PIM1 P11309 2/20 0.71
PIM2 Q9P1W9 1/20 0.69
RPS6KA4 O75676 1/20 0.66
CDK1 P06493 1/20 0.66
KIT P10721 1/20 0.66
IMPDH2 P12268 1/20 0.66
CCNB1 P14635 1/20 0.66
CSNK2A2 P19784 1/20 0.66
CCNE1 P24864 1/20 0.66
FLT4 P35916 1/20 0.66
CSNK1D P48730 1/20 0.66
CSNK1E P49674 1/20 0.66
CDK5 Q00535 1/20 0.66

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
SCHEMBL525895 0.93 TTK (0.69) PLK1PLK3PLK2CCNA2CDK2
SCHEMBL526088 0.93 TTK (0.68) PLK1PLK3PLK2CCNA2CDK2
Potassium SCHEMBL526090 0.93 TTK (0.68) PLK1PLK3PLK2CCNA2CDK2
Potassium Ion SCHEMBL526089 0.92 TTK (0.67) PLK1PLK3PLK2CCNA2CDK2
SCHEMBL10092916 0.91 PLK1 (0.68) PLK1PLK3PLK2CCNA2CDK2
SCHEMBL526080 0.90 TTK (0.69) PLK1PLK3PLK2CCNA2CDK2
SCHEMBL525530 0.86 TTK (0.92) PLK1PLK3PLK2CCNA2CDK2
SCHEMBL526084 0.85 TTK (0.69) PLK1PLK3PLK2CCNA2CDK2
SCHEMBL526461 0.85 TTK (0.69) PLK1PLK3PLK2CCNA2CDK2
Potassium SCHEMBL526463 0.85 TTK (0.69) PLK1PLK3PLK2CCNA2CDK2

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 8 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 claimed
EP-2598508-B1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-22 EP claimed
US-20130143896-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-06 US claimed
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
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

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 PLK1 183/4885PLK3 268/4885PLK2 42/4885

“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.