SCHEMBL526128

SCHEMBL526128

CCOC(=O)c1onc2c1CC(C)(C)c1cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc1-2

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.72
EIF2AK3 Q9NZJ5 3/20 0.72
IGF1R P08069 8/20 0.54
PLK1 P53350 3/20 0.54
BRD4 O60885 1/20 0.54
PTK2 Q05397 2/20 0.54
AURKA O14965 2/20 0.53
AURKB Q96GD4 1/20 0.52
LRRK2 Q5S007 1/20 0.52

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
SCHEMBL14990366 0.91 TTK (0.83) TTKEIF2AK3IGF1RBRD4PTK2
SCHEMBL525707 0.91 TTK (0.83) TTKEIF2AK3IGF1RPLK1BRD4
SCHEMBL526611 0.88 TTK (0.82) TTKEIF2AK3IGF1RPLK1BRD4
SCHEMBL1896057 0.88 TTK (0.66) TTKEIF2AK3IGF1RPLK1AURKA
SCHEMBL525542 0.85 TTK (0.74) TTKEIF2AK3IGF1RPLK1PTK2
SCHEMBL525543 0.85 TTK (0.74) TTKEIF2AK3IGF1RPLK1PTK2
SCHEMBL526621 0.84 TTK (0.85) TTKEIF2AK3IGF1RPLK1PTK2
SCHEMBL10092922 0.84 TTK (0.88) TTKEIF2AK3IGF1RPLK1BRD4
SCHEMBL14990330 0.84 TTK (1.00) TTKEIF2AK3IGF1RPTK2AURKA
Potassium SCHEMBL14990284 0.84 TTK (0.87) TTKEIF2AK3IGF1RPLK1BRD4

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 TTK 341/4885EIF2AK3 315/4885IGF1R 411/4885

“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.