SCHEMBL526227

SCHEMBL526227

NC(=O)c1onc2c1CCc1cnc(N)nc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAP3K14 Q99558 1/20 0.41
CCNA2 P20248 14/20 0.39
CDK2 P24941 14/20 0.39
CCNA1 P78396 12/20 0.39
AURKA O14965 6/20 0.39
PLK1 P53350 4/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TTK P33981 4/20 0.37
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
PLK3 Q9H4B4 3/20 0.36
PLK2 Q9NYY3 3/20 0.36
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
SCHEMBL526117 0.82 HSP90AA1 (0.43) KDM4EALDH1A1POLBHSP90AA1MAP3K14
SCHEMBL525745 0.81 TTK (0.56) KDM4EALDH1A1CCNA2CDK2CCNA1
SCHEMBL525744 0.80 CCNA2 (0.40) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL525472 0.78 CCNA2 (0.35) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL3503440 0.73 CCNA2 (0.65) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL3589153 0.70 CCNA2 (0.65) CCNA2CDK2CCNA1TTKPIM1
SCHEMBL525847 0.70 CDK2 (0.73) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL31060273 0.70 CDK2 (0.49) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL526058 0.70 CDK2 (0.49) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL1894800 0.69 MAP3K14 (0.41) KDM4EALDH1A1POLBHSP90AA1MAP3K14

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 KDM4E 3816/4885ALDH1A1 3745/4885POLB 2408/4885

“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.