SCHEMBL1129637

SCHEMBL1129637

COC(=O)C1CCC(c2nc(Br)c3c(N)nccn23)CC1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 12/20 0.63
IGF1R P08069 7/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
RICTOR Q6R327 1/20 0.44
RPTOR Q8N122 1/20 0.44
MAPKAP1 Q9BPZ7 1/20 0.44
MLST8 Q9BVC4 1/20 0.44

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
SCHEMBL1129633 1.00 TNK2 (0.63) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL19737826 0.87 TNK2 (0.50) TNK2
SCHEMBL1128672 0.87 TNK2 (0.63) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL25616412 0.87 TNK2 (0.51) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL28699569 0.87 TNK2 (0.51) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL1128676 0.87 TNK2 (0.63) TNK2IGF1RPIK3CAPIK3CBMTOR
SCHEMBL16748879 0.84 TNK2 (0.52) TNK2IGF1R
SCHEMBL17893377 0.84 TNK2 (0.47) TNK2
SCHEMBL17899635 0.83 TNK2 (0.46) TNK2
SCHEMBL14631146 0.82 TNK2 (0.47) TNK2IGF1R

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-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 TNK2 2837/4885IGF1R 138/4885PIK3CA 663/4885

“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.