SCHEMBL525992

SCHEMBL525992

CCOC(=O)c1onc2c1CCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.59
CCNA2 P20248 8/20 0.59
AURKA O14965 6/20 0.59
CDK4 P11802 5/20 0.59
CCND3 P30281 5/20 0.59
CDK6 Q00534 5/20 0.59
CCNA1 P78396 4/20 0.57
TTK P33981 2/20 0.53
PIM1 P11309 1/20 0.53
PIM2 Q9P1W9 1/20 0.53
IGF1R P08069 1/20 0.52
BRD4 O60885 2/20 0.51
CSF1R P07333 1/20 0.50
JAK2 O60674 2/20 0.47
JAK3 P52333 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL14990344 0.88 CDK2 (0.57) CDK2CCNA2AURKACDK4CCND3
SCHEMBL525847 0.88 CDK2 (0.73) CDK2CCNA2AURKACDK4CCND3
SCHEMBL526080 0.86 TTK (0.69) CDK2CCNA2CCNA1TTKPIM1
SCHEMBL18798565 0.85 CDK2 (0.78) CDK2CCNA2AURKACDK4CCND3
SCHEMBL4163585 0.84 PLK1 (0.57) CDK2CCNA2AURKACDK4CCND3
SCHEMBL526178 0.84 PLK1 (0.59) CDK2CCNA2CCNA1TTKPIM1
SCHEMBL14990270 0.83 TTK (0.70) CDK2CCNA2AURKACDK4CCND3
SCHEMBL12466621 0.82 CDK2 (0.78) CDK2CCNA2AURKACDK4CCND3
SCHEMBL4162908 0.80 CDK2 (0.77) CDK2CCNA2AURKACDK4CCND3
SCHEMBL15385485 0.80 TTK (0.77) CDK2CCNA2AURKACDK4CCND3

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 5 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
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 406/4885CCNA2 3027/4885AURKA 1595/4885

“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.