SCHEMBL3736252

SCHEMBL3736252

Cc1ccc(NC(=O)N[C@@H](C)c2cccc(CN3CCN(S(=O)(=O)N(C)C)CC3)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 2/20 0.41
MAPK1 P28482 1/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
ACKR3 P25106 2/20 0.39
PIK3R1 P27986 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ICAM1 P05362 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3742162 1.00 NAMPT (0.42) NAMPTMEN1KMT2ACYP2C9MAPK1
SCHEMBL401714 0.87 ACKR3 (0.49) PIK3CAPIK3CDPIK3CBPIK3CGACKR3
SCHEMBL4710480 0.85 MEN1 (0.46) MEN1KMT2AMAPK1ACKR3ROCK2
SCHEMBL3734785 0.84 NAMPT (0.47) NAMPTPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL4711098 0.84 MEN1 (0.40) NAMPTMEN1KMT2ACYP2C9MAPK1
Hydrochloric Acid SCHEMBL3739080 0.84 MAPK1 (0.43) NAMPTMEN1KMT2AMAPK1ACKR3
Hydrochloric Acid SCHEMBL3739075 0.84 MAPK1 (0.43) NAMPTMEN1KMT2AMAPK1ACKR3
SCHEMBL3731076 0.81 CCNK (0.42) MEN1KMT2AMAPK1ACKR3ROCK2
SCHEMBL3731078 0.81 CCNK (0.42) MEN1KMT2AMAPK1ACKR3ROCK2
SCHEMBL3731650 0.79 NAMPT (0.52) NAMPTPIK3CAPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090247544-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2009-10-01 US disclosed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 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 (3 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-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 NAMPT 2884/4885MEN1 4493/4885KMT2A 4149/4885
US-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 NAMPT 3645/4885MEN1 4319/4885KMT2A 4052/4885
US-20090247544-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 NAMPT 2884/4885MEN1 4493/4885KMT2A 4149/4885

“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.