SCHEMBL525981

SCHEMBL525981

CCc1cccc(CC)c1NC(=O)c1onc2c1CCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3OC(F)(F)F)nc1-2

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 17/20 0.79
NEK6 Q9HC98 2/20 0.61
CSNK2A2 P19784 1/20 0.61
CSNK2B P67870 1/20 0.61
CSNK2A1 P68400 1/20 0.61
MELK Q14680 1/20 0.61
CSNK2A3 Q8NEV1 1/20 0.61
AURKA O14965 1/20 0.58
PLK1 P53350 3/20 0.57
FLT3 P36888 1/20 0.56
PLK3 Q9H4B4 1/20 0.56
PLK2 Q9NYY3 1/20 0.56

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
SCHEMBL527318 0.93 TTK (0.68) TTKNEK6CSNK2A2CSNK2BCSNK2A1
SCHEMBL525530 0.92 TTK (0.92) TTKAURKAPLK1PLK3PLK2
SCHEMBL526126 0.91 TTK (0.79) TTKNEK6CSNK2A2CSNK2BCSNK2A1
SCHEMBL1559108 0.89 TTK (0.85) TTKNEK6CSNK2A2CSNK2BCSNK2A1
SCHEMBL12698424 0.88 TTK (1.00) TTKAURKAPLK1PLK3PLK2
SCHEMBL10092918 0.87 PLK1 (0.67) TTKNEK6CSNK2A2CSNK2BCSNK2A1
SCHEMBL10092916 0.87 PLK1 (0.68) TTKNEK6CSNK2A2CSNK2BCSNK2A1
SCHEMBL526178 0.86 PLK1 (0.59) TTKNEK6CSNK2A2CSNK2BCSNK2A1
SCHEMBL526085 0.86 TTK (0.82) TTKAURKAPLK1PLK3PLK2
SCHEMBL14990270 0.85 TTK (0.70) TTKNEK6CSNK2A2MELKAURKA

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 TTK 341/4885NEK6 1150/4885CSNK2A2 36/4885

“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.