SCHEMBL13629023

SCHEMBL13629023

CC(=O)NC[C@H]1CC[C@H](c2nc(C3Cc4cccc(Cl)c4N3)c3c(N)ncnn32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.43
PDPK1 O15530 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
INSR P06213 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
MAP2K1 Q02750 1/20 0.43
TNK2 Q07912 14/20 0.43
CSNK2A2 P19784 2/20 0.40
RIPK2 O43353 1/20 0.40
RET P07949 1/20 0.40
NQO2 P16083 1/20 0.40
FECH P22830 1/20 0.40
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL13629003 0.92 TNK2 (0.43) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL8399507 0.91 IGF1R (0.43) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL13629449 0.86 MTOR (0.43) IGF1RTNK2CSNK2A2RIPK2RET
SCHEMBL12648416 0.86 TNK2 (0.53) TNK2CSNK2A2RIPK2RETNQO2
SCHEMBL8399556 0.86 MTOR (0.51) TNK2CSNK2A2RIPK2RETNQO2
SCHEMBL12648183 0.81 RAF1 (0.41) RAF1SRCTNK2CSNK2A2RIPK2
SCHEMBL12648463 0.81 CSNK2A2 (0.38) RAF1SRCTNK2CSNK2A2RIPK2
SCHEMBL8402334 0.81 MTOR (0.41) IGF1RTNK2CSNK2A2RIPK2RET
SCHEMBL12648325 0.80 PDPK1 (0.39) IGF1RPDPK1ABL1EGFRRAF1
SCHEMBL12648432 0.79 MTOR (0.50) TNK2CSNK2A2RIPK2RETNQO2

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 IGF1R 67/4885PDPK1 9/4885ABL1 675/4885

“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.