SCHEMBL525744

SCHEMBL525744

CS(=O)(=O)c1ncc2c(n1)-c1noc(C(N)=O)c1CC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 17/20 0.40
CDK2 P24941 17/20 0.40
CCNA1 P78396 15/20 0.40
AURKA O14965 5/20 0.40
TTK P33981 4/20 0.36
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
PLK1 P53350 4/20 0.36
PLK3 Q9H4B4 2/20 0.36
PLK2 Q9NYY3 2/20 0.36
CDK4 P11802 3/20 0.35
CCND3 P30281 3/20 0.35
CDK6 Q00534 3/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CDK19 Q9BWU1 1/20 0.35

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
SCHEMBL10092915 0.84 CCNA2 (0.40) CCNA2CDK2CCNA1AURKATTK
SCHEMBL526227 0.80 KDM4E (0.43) CCNA2CDK2CCNA1AURKATTK
SCHEMBL4159100 0.77 CCNA2 (0.63) CCNA2CDK2CCNA1AURKATTK
SCHEMBL525472 0.73 CCNA2 (0.35) CCNA2CDK2CCNA1AURKATTK
SCHEMBL526117 0.68 HSP90AA1 (0.43) CCNA2CDK2CCNA1AURKACDK4
SCHEMBL525847 0.67 CDK2 (0.73) CCNA2CDK2CCNA1AURKATTK
SCHEMBL526058 0.67 CDK2 (0.49) CCNA2CDK2CCNA1AURKATTK
SCHEMBL4152025 0.66 CCNA2 (0.63) CCNA2CDK2CCNA1AURKATTK
SCHEMBL31461745 0.65 TP53 (0.49)
SCHEMBL526061 0.64 CCNA2 (0.47) CCNA2CDK2CCNA1TTKPIM1

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 CCNA2 3027/4885CDK2 406/4885CCNA1 2077/4885

“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.