SCHEMBL14990502

SCHEMBL14990502

CN1CCN(c2ccc(Nc3ncc4c(n3)-c3onc(C(N)=O)c3CC4)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.72
CCNA2 P20248 13/20 0.72
CDK4 P11802 8/20 0.72
CCND3 P30281 8/20 0.72
CDK6 Q00534 8/20 0.72
AURKA O14965 7/20 0.72
CCNA1 P78396 5/20 0.67
PIM1 P11309 1/20 0.65
TTK P33981 1/20 0.65
PIM2 Q9P1W9 1/20 0.65
PLK1 P53350 3/20 0.55
PLK3 Q9H4B4 1/20 0.55
IGF1R P08069 1/20 0.54

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
SCHEMBL12473978 0.92 CDK2 (0.63) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL525847 0.88 CDK2 (0.73) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL14990344 0.87 CDK2 (0.57) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL525844 0.84 CDK2 (0.60) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL10092912 0.83 PLK1 (0.68) CDK2CCNA2CCNA1TTKPLK1
SCHEMBL526265 0.82 CDK2 (0.49) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL12698351 0.79 TTK (1.00) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL4155311 0.79 CDK2 (1.00) CDK2CCNA2CDK4CCND3CDK6
SCHEMBL525992 0.78 CDK2 (0.59) CDK2CCNA2CDK4CCND3CDK6
Trifluoroacetic Acid SCHEMBL14990435 0.78 CCNA2 (0.45) CDK2CCNA2CDK4CCND3CDK6

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 6 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

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 CDK2 406/4885CCNA2 3027/4885CDK4 718/4885

“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.