SCHEMBL1129645

SCHEMBL1129645

Nc1nccn2c1c(I)nc2[C@H]1CC[C@H](CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 6/20 0.73
IGF1R P08069 14/20 0.51
PDPK1 O15530 1/20 0.51
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
RAF1 P04049 1/20 0.51
INSR P06213 1/20 0.51
SRC P12931 1/20 0.51
KDR P35968 1/20 0.51
MAP2K1 Q02750 1/20 0.51

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
SCHEMBL1129273 1.00 TNK2 (0.73) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL1129225 0.90 TNK2 (0.62) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL1129391 0.85 TNK2 (1.00) TNK2IGF1R
SCHEMBL1129393 0.85 TNK2 (1.00) TNK2IGF1R
SCHEMBL3172098 0.84 IGF1R (0.53) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL3172083 0.84 IGF1R (0.53) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL6934441 0.83 IGF1R (0.78) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL8399665 0.82 TNK2 (0.63) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL593894 0.82 IGF1R (0.51) TNK2IGF1R
SCHEMBL1129237 0.80 TNK2 (1.00) 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 138/4885PDPK1 1273/4885

“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.