SCHEMBL525745

SCHEMBL525745

CSc1ncc2c(n1)-c1noc(C(N)=O)c1CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.56
PIM1 P11309 4/20 0.56
PIM2 Q9P1W9 4/20 0.56
CCNA2 P20248 13/20 0.43
CDK2 P24941 13/20 0.43
CCNA1 P78396 8/20 0.39
PLK1 P53350 3/20 0.39
PLK3 Q9H4B4 3/20 0.39
PLK2 Q9NYY3 3/20 0.39
AURKA O14965 3/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CDK19 Q9BWU1 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
DUSP10 Q9Y6W6 1/20 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
SCHEMBL526125 0.84 TTK (0.52) TTKPIM1PIM2CCNA2CDK2
SCHEMBL526061 0.83 CCNA2 (0.47) TTKPIM1PIM2CCNA2CDK2
SCHEMBL526227 0.81 KDM4E (0.43) TTKPIM1PIM2CCNA2CDK2
SCHEMBL525744 0.79 CCNA2 (0.40) TTKPIM1PIM2CCNA2CDK2
SCHEMBL4147700 0.77 CCNA2 (0.64) TTKPIM1PIM2CCNA2CDK2
SCHEMBL9940810 0.77 PIM1 (0.52) TTKPIM1PIM2CCNA2CDK2
SCHEMBL525472 0.74 CCNA2 (0.35) TTKPIM1PIM2CCNA2CDK2
SCHEMBL12466565 0.74 PIM1 (0.57) TTKPIM1PIM2CCNA2CDK2
SCHEMBL12466433 0.73 PIM1 (0.51) TTKPIM1PIM2CCNA2CDK2
SCHEMBL9940735 0.72 TTK (0.55) 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.