SCHEMBL1129345

SCHEMBL1129345

Nc1nccn2c(C3CCNCC3)nc(I)c12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 15/20 0.56
FGFR2 P21802 1/20 0.46
IGF1R P08069 2/20 0.44
FGFR1 P11362 2/20 0.43

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
SCHEMBL24251951 0.92 TNK2 (0.49) TNK2FGFR2IGF1RFGFR1
SCHEMBL26820365 0.92 TNK2 (0.49) TNK2FGFR2IGF1RFGFR1
Hydrochloric Acid SCHEMBL26661660 0.91 TNK2 (0.48) TNK2FGFR2IGF1RFGFR1
SCHEMBL398874 0.87 FGFR2 (0.57) TNK2FGFR2IGF1RFGFR1
SCHEMBL4316054 0.85 TNK2 (0.48) TNK2FGFR2IGF1RFGFR1
SCHEMBL29614516 0.85 TNK2 (0.45) TNK2FGFR2IGF1RFGFR1
SCHEMBL16748847 0.84 TNK2 (0.56) TNK2FGFR2IGF1RFGFR1
SCHEMBL402054 0.83 TNK2 (0.59) TNK2FGFR2IGF1R
SCHEMBL401909 0.83 TNK2 (0.59) TNK2FGFR2IGF1R
SCHEMBL594940 0.80 TNK2 (0.59) 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 8 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-2385053-A2 Intermediates for the preparation of fused bicyclic mTOR inhibitors OSI Pharmaceuticals, Inc. (US) 2011-11-09 EP disclosed
EP-2325186-A2 Fused Bicyclic mTor Inhibitors OSI Pharmaceuticals, Inc. (US) 2011-05-25 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
WO-2009008992-A2 COMBINATION ANTI-CANCER THERAPY COMPRISING AN INHIBITOR OF BOTH MTORC1 AND MT0RC2 OSI PHARMACEUTICALS INC. (US) 2009-01-15 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 TNK2 2837/4885FGFR2 306/4885IGF1R 138/4885

“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.