SCHEMBL526117

SCHEMBL526117

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.43
KDM4E B2RXH2 10/20 0.42
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41
CDK4 P11802 1/20 0.41
CCND3 P30281 1/20 0.41
CDK6 Q00534 1/20 0.41
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 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
SCHEMBL526061 0.84 CCNA2 (0.47) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL526227 0.82 KDM4E (0.43) HSP90AA1KDM4ECCNA2CDK2CCNA1
SCHEMBL1559207 0.77 CCNA2 (0.66) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL4158418 0.77 CCNA2 (0.42) HSP90AA1KDM4ECCNA2CDK2CCNA1
SCHEMBL31326953 0.77 CCNA2 (0.42) HSP90AA1KDM4ECCNA2CDK2CCNA1
SCHEMBL3504023 0.76 CDK2 (0.54) HSP90AA1KDM4ECCNA2CDK2CCNA1
SCHEMBL12466581 0.75 MAPT (0.44) HSP90AA1KDM4ECCNA2CDK2CCNA1
SCHEMBL12466225 0.74 CCNA2 (0.46) HSP90AA1KDM4ECCNA2CDK2CCNA1
SCHEMBL3596088 0.74 CCNA2 (0.55) HSP90AA1CCNA2CDK2CCNA1CDK4
SCHEMBL3503801 0.74 CCNA2 (0.55) HSP90AA1KDM4ECCNA2CDK2CCNA1

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 HSP90AA1 933/4885KDM4E 3816/4885CCNA2 3027/4885

“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.