SCHEMBL721038

SCHEMBL721038

CCNc1nc(-c2ccc(NC(=O)NCCc3ccc(N)nc3)c(F)c2)ccc1C(=O)NCCN1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PIK3CA P42336 5/20 0.40
MTOR P42345 5/20 0.40
KIT P10721 1/20 0.40
NAMPT P43490 1/20 0.39
MCHR1 Q99705 1/20 0.39
MAP4K4 O95819 2/20 0.39
IKBKB O14920 1/20 0.38
KCNH2 Q12809 2/20 0.37
CHRNA7 P36544 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR4 Q13639 1/20 0.37
EPHX2 P34913 1/20 0.37
POLB P06746 1/20 0.37
ATR Q13535 1/20 0.36

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
SCHEMBL485908 0.94 PIK3CA (0.41) MEN1KMT2APIK3CAMTORKIT
SCHEMBL485903 0.94 PIK3CA (0.41) MEN1KMT2APIK3CAMTORKIT
SCHEMBL485853 0.93 PIK3CA (0.41) MEN1KMT2APIK3CAMTORKIT
SCHEMBL485801 0.93 KIT (0.37) MEN1KMT2APIK3CAMTORKIT
SCHEMBL486093 0.91 PIK3CA (0.39) MEN1KMT2APIK3CAMTORKIT
SCHEMBL485940 0.90 KCNH2 (0.41) PIK3CAMTORKITNAMPTKCNH2
SCHEMBL486103 0.90 KIT (0.48) MEN1KMT2APIK3CAMTORKIT
SCHEMBL485905 0.89 KCNH2 (0.42) PIK3CAMTORKITNAMPTKCNH2
SCHEMBL486443 0.88 PIK3CA (0.41) PIK3CAMTORKIT
SCHEMBL486083 0.87 MTOR (0.40) PIK3CAMTORIKBKB

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 2 patents. 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
US-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS SANOFI (FR) 2012-03-01 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-20120053170-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS ANTICANCER DRUGS NAMPT, NNT, NQO1 MEN1 560/4885KMT2A 2289/4885PIK3CA 293/4885

“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.