SCHEMBL3738874

SCHEMBL3738874

Cc1ccc(NC(=O)Nc2nccc(CN3CCN(S(=O)(=O)N(C)C)CC3)c2F)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
PIK3CA P42336 3/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PIK3R1 P27986 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DDX3X O00571 1/20 0.35
ICAM1 P05362 1/20 0.35
NAMPT P43490 1/20 0.35
SORD Q00796 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RET P07949 1/20 0.34
MAP4K4 O95819 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
MCHR1 Q99705 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
SCHEMBL4235546 0.86 NPC1 (0.44) CYP1A2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL402925 0.85 ACKR3 (0.42) CYP1A2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3733894 0.82 NAMPT (0.41) CYP1A2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL401393 0.80 CYP1A2 (0.48) CYP1A2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL399031 0.79 PIK3CA (0.41) CYP1A2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3741303 0.79 NAMPT (0.47) PIK3CAPIK3CDPIK3CBPIK3CGICAM1
SCHEMBL401714 0.78 ACKR3 (0.49) CYP1A2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3731787 0.77 NAMPT (0.45) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL3731650 0.77 NAMPT (0.52) PIK3CAPIK3CDPIK3CBPIK3CGICAM1
SCHEMBL3734293 0.77 NAMPT (0.45) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1

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
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 WO 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 CYP1A2 4402/4885PIK3CA 4067/4885PIK3CD 2975/4885

“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.