SCHEMBL13629011

SCHEMBL13629011

Nc1nccn2c(C3CCC(CO)CC3)nc(C3Cc4ccccc4N3)c12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 16/20 0.55
IGF1R P08069 3/20 0.48
PDPK1 O15530 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
INSR P06213 1/20 0.42
SRC P12931 1/20 0.42
KDR P35968 1/20 0.42
MAP2K1 Q02750 1/20 0.42
FGFR2 P21802 1/20 0.41

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
SCHEMBL12648255 0.93 TNK2 (0.54) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL8400017 0.92 TNK2 (0.53) TNK2IGF1R
SCHEMBL10242615 0.89 TNK2 (0.52) TNK2FGFR2
SCHEMBL8402327 0.88 FGFR2 (0.52) TNK2IGF1RFGFR2
SCHEMBL8400285 0.86 IGF1R (0.45) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL8402085 0.85 TNK2 (0.50) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL8404244 0.85 IGF1R (0.45) TNK2IGF1RPDPK1ABL1EGFR
SCHEMBL13629012 0.85 TNK2 (0.52) TNK2FGFR2
SCHEMBL10242104 0.83 TNK2 (0.42) TNK2RAF1SRCFGFR2
SCHEMBL13629425 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090274698-A1 Combination anti-cancer therapy OSI PHARMACEUTICALS, INC. 2009-11-05 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-20090274698-A1 Combination anti-cancer therapy MTOR, RICTOR, AKT1 TNK2 144/4885IGF1R 67/4885PDPK1 9/4885

“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.