SCHEMBL526716

SCHEMBL526716

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1noc(C(=O)N[C@H](CN)c3ccccc3)c1C(C)(C)C2

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.76
EIF2AK3 Q9NZJ5 3/20 0.76
PIM1 P11309 1/20 0.68
PIM2 Q9P1W9 1/20 0.68
IGF1R P08069 11/20 0.54
AURKA O14965 1/20 0.51
PLK1 P53350 1/20 0.51
PTK2 Q05397 3/20 0.49

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
SCHEMBL12473975 0.93 TTK (0.72) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL12473974 0.93 TTK (0.72) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL526751 0.91 TTK (0.69) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL14990362 0.91 TTK (0.69) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL526621 0.89 TTK (0.85) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL14990222 0.87 TTK (1.00) TTKEIF2AK3IGF1RAURKAPLK1
SCHEMBL14990540 0.86 TTK (1.00) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL526356 0.86 TTK (1.00) TTKEIF2AK3PIM1PIM2IGF1R
SCHEMBL526611 0.84 TTK (0.82) TTKEIF2AK3IGF1RAURKAPLK1
SCHEMBL525543 0.83 TTK (0.74) TTKEIF2AK3PIM1PIM2IGF1R

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 341/4885EIF2AK3 315/4885PIM1 302/4885

“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.