SCHEMBL525844

SCHEMBL525844

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.60
AURKA O14965 7/20 0.60
TTK P33981 2/20 0.58
EIF2AK3 Q9NZJ5 1/20 0.58
CCNA2 P20248 9/20 0.56
CDK4 P11802 5/20 0.56
CDK6 Q00534 5/20 0.56
CCND3 P30281 4/20 0.56
CCNA1 P78396 4/20 0.55
PIM1 P11309 1/20 0.55
PIM2 Q9P1W9 1/20 0.55
GAK O14976 1/20 0.51
BUB1 O43683 1/20 0.51
CCNT1 O60563 1/20 0.51
ULK1 O75385 1/20 0.51
STK16 O75716 1/20 0.51
PRKD3 O94806 1/20 0.51
LATS1 O95835 1/20 0.51
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51

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
SCHEMBL14990272 0.92 CDK2 (0.53) CDK2AURKATTKEIF2AK3CCNA2
SCHEMBL525755 0.89 CDK2 (0.61) CDK2AURKATTKCCNA2CDK4
SCHEMBL14990266 0.88 CDK2 (0.49) CDK2AURKATTKEIF2AK3CCNA2
SCHEMBL14990299 0.85 CDK2 (0.52) CDK2AURKATTKEIF2AK3CCNA2
SCHEMBL14990502 0.84 CDK2 (0.72) CDK2AURKATTKCCNA2CDK4
SCHEMBL14990424 0.84 TTK (0.63) CDK2TTKEIF2AK3CCNA2CCNA1
SCHEMBL14990394 0.83 TTK (0.46) CDK2AURKATTKEIF2AK3CCNA2
SCHEMBL525754 0.79 CDK2 (0.55) CDK2AURKATTKCCNA2CDK4
SCHEMBL14990695 0.77 CDK2 (0.52) CDK2AURKATTKCCNA2CDK4
SCHEMBL12473978 0.77 CDK2 (0.63) CDK2AURKATTKCCNA2CDK4

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 CDK2 406/4885AURKA 1595/4885TTK 341/4885

“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.