SCHEMBL13629020

SCHEMBL13629020

Cc1cccc2c1NC(c1nc([C@H]3CC[C@H](CNC(=O)OCc4ccccc4)CC3)n3nc(N)nc(N)c13)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.47
HTR7 P34969 2/20 0.36
HTR6 P50406 2/20 0.36
HTR5A P47898 1/20 0.36
CYP2D6 P10635 5/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2C19 P33261 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 3/20 0.35
USP2 O75604 2/20 0.35
TP53 P04637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RGS12 O14924 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL12648325 0.88 PDPK1 (0.39) TNK2PDPK1ABL1EGFRRAF1
SCHEMBL6954571 0.79 TNK2 (0.53) TNK2MTORTNKSTNKS2PDPK1
SCHEMBL8399665 0.75 TNK2 (0.63) TNK2PDPK1ABL1EGFRRAF1
SCHEMBL8406159 0.68 TNK2 (0.39) TNK2LMNAMTOR
SCHEMBL8071811 0.68 TNK2 (0.52) TNK2MTORPDPK1ABL1EGFR
SCHEMBL8393648 0.65 LMNA (0.58) CYP2D6CYP3A4CYP2C19MEN1MAPT
SCHEMBL1129645 0.65 TNK2 (0.73) TNK2PDPK1ABL1EGFRRAF1
SCHEMBL1129273 0.65 TNK2 (0.73) TNK2PDPK1ABL1EGFRRAF1
SCHEMBL13668665 0.64 TPSAB1 (0.54) TNK2CYP2D6CYP3A4CYP2C19MEN1
SCHEMBL1130765 0.64 TNK2 (1.00) TNK2

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 144/4885HTR7 3986/4885HTR6 3374/4885

“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.