SCHEMBL3738865

SCHEMBL3738865

COC(=O)N1CCN(Cc2cc(CNC(=O)Nc3ccc(C)nc3)ccc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RAB9A P51151 2/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
NPC1 O15118 1/20 0.41
MPI P34949 1/20 0.41
HTT P42858 1/20 0.41
AURKA O14965 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
PRKCG P05129 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 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
SCHEMBL3731440 0.93 NAMPT (0.43) NAMPTALDH1A1MAPTLMNAMEN1
SCHEMBL3733714 0.91 NAMPT (0.44) NAMPTMEN1KMT2ADDB1CRBN
SCHEMBL3737941 0.91 NAMPT (0.46) NAMPTALDH1A1MAPTLMNAMEN1
SCHEMBL3736336 0.90 NAMPT (0.43) NAMPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL3731381 0.90 NAMPT (0.45) NAMPTMAPTLMNAMEN1KMT2A
SCHEMBL399519 0.89 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL3737929 0.86 NAMPT (0.45) NAMPTMAPTMEN1KMT2ANPSR1
SCHEMBL3731821 0.86 NAMPT (0.51) NAMPTDDB1CRBN
SCHEMBL3744307 0.86 NAMPT (0.40) NAMPTROCK2MAPK1PIK3CDPIK3CA
SCHEMBL3746384 0.86 PIK3CA (0.42) NAMPTMEN1KMT2ARAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US claimed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 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-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 NAMPT 3645/4885ALDH1A1 3619/4885MAPT 900/4885

“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.