SCHEMBL1889494

SCHEMBL1889494

COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(=O)O)nn1C)CC2

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.79
AURKA O14965 1/20 0.79
PLK1 P53350 1/20 0.79
IGF1R P08069 15/20 0.71
PIM1 P11309 1/20 0.70
PIM2 Q9P1W9 1/20 0.70
CSNK2A2 P19784 1/20 0.68
CSNK2B P67870 1/20 0.68
CSNK2A1 P68400 1/20 0.68
MELK Q14680 1/20 0.68
CSNK2A3 Q8NEV1 1/20 0.68
NEK6 Q9HC98 1/20 0.68

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
SCHEMBL12499331 0.95 TTK (0.79) TTKAURKAPLK1IGF1RPIM1
SCHEMBL1895201 0.92 TTK (0.80) TTKAURKAPLK1IGF1RPIM1
SCHEMBL1895138 0.91 TTK (0.78) TTKAURKAPLK1IGF1RPIM1
SCHEMBL1559206 0.88 TTK (1.00) TTKAURKAPLK1PIM1PIM2
SCHEMBL12698406 0.86 TTK (0.79) TTKAURKAPLK1IGF1RPIM1
SCHEMBL12698458 0.84 TTK (1.00) TTKAURKAPLK1IGF1RPIM1
SCHEMBL1895216 0.84 TTK (0.83) TTKAURKAPLK1IGF1RPIM1
SCHEMBL1560088 0.83 TTK (0.79) TTKAURKAPLK1IGF1RPIM1
SCHEMBL10191955 0.83 IGF1R (1.00) IGF1R
SCHEMBL12698376 0.83 TTK (1.00) TTKAURKAPLK1IGF1RPIM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303891-B1 PYRAZOLO-QUINAZOLINES AS PROTEIN KINASE ACTIVITY MODULATORS SERVIER LAB (FR) 2016-02-17 EP disclosed
US-8846701-B2 Pyrazolo-quinazolines NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-09-30 US disclosed
US-20110105542-A1 PYRAZOLO--QUINAZOLINES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 US 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-20110105542-A1 PYRAZOLO--QUINAZOLINES PDXK, MAP4K5, MAP3K1 TTK 8/4885AURKA 370/4885PLK1 32/4885

“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.