SCHEMBL10092916

SCHEMBL10092916

CN1CCN(c2ccc(Nc3ncc4c(n3)-c3noc(C(N)=O)c3CC4)c(OC(F)(F)F)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.68
PLK3 Q9H4B4 8/20 0.68
PLK2 Q9NYY3 6/20 0.68
FLT3 P36888 5/20 0.68
NEK6 Q9HC98 3/20 0.68
ALK Q9UM73 1/20 0.63
CSNK2A2 P19784 1/20 0.63
CSNK2B P67870 1/20 0.63
CSNK2A1 P68400 1/20 0.63
MELK Q14680 1/20 0.63
CSNK2A3 Q8NEV1 1/20 0.63
CCNA2 P20248 3/20 0.63
CDK2 P24941 3/20 0.63
CCNA1 P78396 3/20 0.63
TTK P33981 2/20 0.59
PIM1 P11309 1/20 0.59

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
SCHEMBL10092918 0.94 PLK1 (0.67) PLK1PLK3PLK2FLT3NEK6
SCHEMBL526773 0.91 PLK1 (0.76) PLK1PLK3PLK2FLT3NEK6
SCHEMBL526178 0.90 PLK1 (0.59) PLK1PLK3PLK2FLT3NEK6
SCHEMBL10092912 0.90 PLK1 (0.68) PLK1PLK3PLK2FLT3NEK6
SCHEMBL3504073 0.87 PLK1 (0.89) PLK1PLK3PLK2FLT3NEK6
SCHEMBL525981 0.87 TTK (0.79) PLK1PLK3PLK2FLT3NEK6
SCHEMBL14990353 0.87 PLK1 (0.55) PLK1PLK3PLK2FLT3NEK6
SCHEMBL10092911 0.86 PLK1 (0.67) PLK1PLK3PLK2FLT3NEK6
SCHEMBL527318 0.85 TTK (0.68) PLK1PLK3PLK2FLT3NEK6
SCHEMBL525895 0.84 TTK (0.69) PLK1PLK3PLK2CSNK2A2MELK

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 12 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
US-9333205-B2 Isoxazolo-quinazolines as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-10 US disclosed
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
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
US-20130143896-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-06 US disclosed
US-20130143896-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-06 US 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 PLK1 183/4885PLK3 268/4885PLK2 42/4885

“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.