SCHEMBL1129065

SCHEMBL1129065

COc1ncnn2c(C3CC(=O)C3)nc(Br)c12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.32
RIPK2 O43353 1/20 0.32
RET P07949 1/20 0.32
NQO2 P16083 1/20 0.32
CSNK2A2 P19784 1/20 0.32
FECH P22830 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
MAPK10 P53779 1/20 0.32
PRKDC P78527 1/20 0.32
MAP2K5 Q13163 1/20 0.32
BMPR2 Q13873 1/20 0.32
RICTOR Q6R327 1/20 0.32
RPTOR Q8N122 1/20 0.32
PIP4K2C Q8TBX8 1/20 0.32
MAPKAP1 Q9BPZ7 1/20 0.32
MLST8 Q9BVC4 1/20 0.32

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
SCHEMBL12017835 0.88
SCHEMBL1129116 0.80 TNK2 (0.46) TNK2
SCHEMBL1129114 0.80 TNK2 (0.46) TNK2
SCHEMBL1758849 0.77 TNK2 (0.42) TNK2
SCHEMBL12017838 0.77 TNK2 (0.42) TNK2
SCHEMBL1131683 0.75 TNK2 (0.53) TNK2RIPK2RETNQO2CSNK2A2
SCHEMBL1129312 0.75 PDE9A (0.30)
SCHEMBL31391110 0.65 TNK2 (0.48) TNK2RIPK2RETNQO2CSNK2A2
SCHEMBL20874792 0.62 CHRNA7 (0.33)
SCHEMBL12006361 0.62

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 10 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
US-20120220595-A1 Deuterated Tyrosine Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-30 US disclosed
US-20120220595-A1 Deuterated Tyrosine Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-30 US disclosed
US-20120220595-A1 Deuterated Tyrosine Kinase Inhibitors OSI Pharmaceuticals, LLC 2012-08-30 US disclosed
WO-2011060112-A1 DEUTERATED TYROSINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
WO-2011060112-A1 DEUTERATED TYROSINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2011-05-19 WO 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 (2 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 2837/4885RIPK2 3559/4885RET 153/4885
US-20120220595-A1 Deuterated Tyrosine Kinase Inhibitors IGF1R, INSR, IRS1 TNK2 552/4885RIPK2 1390/4885RET 26/4885

“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.