SCHEMBL723404

SCHEMBL723404

CCNc1nc(-c2ccc(NC(=O)NCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1C[C@H](C)C[C@H](C)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.37
PIK3CA P42336 5/20 0.37
NAMPT P43490 2/20 0.35
TLR2 O60603 1/20 0.35
MAPK1 P28482 7/20 0.34
HDAC1 Q13547 1/20 0.34
PDPK1 O15530 1/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34

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
SCHEMBL723405 1.00 MTOR (0.37) MTORPIK3CANAMPTTLR2MAPK1
SCHEMBL485853 0.91 PIK3CA (0.41) MTORPIK3CANAMPTPDPK1
SCHEMBL486083 0.90 MTOR (0.40) MTORPIK3CAMAPK1FLT3TYRO3
SCHEMBL486443 0.90 PIK3CA (0.41) MTORPIK3CA
SCHEMBL485908 0.90 PIK3CA (0.41) MTORPIK3CANAMPTPDPK1
SCHEMBL485903 0.90 PIK3CA (0.41) MTORPIK3CANAMPTPDPK1
SCHEMBL486010 0.89 MTOR (0.48) MTORPIK3CAMAPK1HDAC1
SCHEMBL485836 0.89 MTOR (0.37) MTORPIK3CAMAPK1FLT3TYRO3
SCHEMBL485804 0.88 TLR2 (0.39) MTORPIK3CATLR2MAPK1HDAC1
SCHEMBL486122 0.88 PIK3CA (0.39) MTORPIK3CAMAPK1HDAC1

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-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 US claimed

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-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 MTOR 1301/4885PIK3CA 293/4885NAMPT 1/4885

“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.