SCHEMBL1129137

SCHEMBL1129137

COC(=O)[C@H]1CC[C@H](c2nc(I)c3c(Cl)nccn32)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 15/20 0.51
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
RICTOR Q6R327 1/20 0.40
RPTOR Q8N122 1/20 0.40
MAPKAP1 Q9BPZ7 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
IGF1R P08069 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL1129140 1.00 TNK2 (0.51) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL25616412 0.87 TNK2 (0.51) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL1128676 0.87 TNK2 (0.63) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL28699569 0.87 TNK2 (0.51) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL1128672 0.87 TNK2 (0.63) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL17892415 0.81 TNK2 (0.45) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL17893125 0.81 TNK2 (0.45) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL398312 0.80 TNK2 (0.46) TNK2IGF1R
SCHEMBL4312964 0.78 TNK2 (0.38) TNK2PIK3CAPIK3CBMTORPIK3CG
SCHEMBL1552357 0.78 IGF1R (0.43) TNK2PIK3CAPIK3CBMTORPIK3CG

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 2837/4885PIK3CA 663/4885PIK3CB 1620/4885

“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.