SCHEMBL526125

SCHEMBL526125

CSc1ncc2c(n1)-c1onc(C(N)=O)c1CC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.52
PIM1 P11309 4/20 0.52
PIM2 Q9P1W9 4/20 0.52
CCNA2 P20248 15/20 0.44
CDK2 P24941 15/20 0.44
CCNA1 P78396 8/20 0.40
PLK1 P53350 4/20 0.40
PLK3 Q9H4B4 3/20 0.40
PLK2 Q9NYY3 3/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
AURKA O14965 4/20 0.37
CDK4 P11802 3/20 0.36
CCND3 P30281 3/20 0.36
CDK6 Q00534 3/20 0.36

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
SCHEMBL525745 0.84 TTK (0.56) TTKPIM1PIM2CCNA2CDK2
SCHEMBL525907 0.83 CCNA2 (0.46) TTKPIM1PIM2CCNA2CDK2
SCHEMBL10092915 0.80 CCNA2 (0.40) TTKCCNA2CDK2CCNA1PLK1
SCHEMBL4147700 0.76 CCNA2 (0.64) TTKPIM1PIM2CCNA2CDK2
SCHEMBL9940810 0.76 PIM1 (0.52) TTKPIM1PIM2CCNA2CDK2
SCHEMBL525783 0.76 RAB9A (0.34) TTKCCNA2CDK2CCNA1PLK1
SCHEMBL11021685 0.72 TTK (0.55) TTKPIM1PIM2CCNA2CDK2
SCHEMBL9940735 0.72 TTK (0.55) TTKPIM1PIM2CCNA2CDK2
SCHEMBL12466565 0.71 PIM1 (0.57) TTKPIM1PIM2CCNA2CDK2
SCHEMBL526061 0.71 CCNA2 (0.47) TTKPIM1PIM2CCNA2CDK2

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 341/4885PIM1 302/4885PIM2 375/4885

“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.