SCHEMBL1446014

SCHEMBL1446014

CN(C)S(=O)(=O)CNCCOc1cc(F)cc(NC(=O)Nc2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
TAAR1 Q96RJ0 1/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.44
PLK4 O00444 1/20 0.44
PAK4 O96013 1/20 0.44
NTRK1 P04629 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
NOTUM Q6P988 1/20 0.42
ADRB3 P13945 2/20 0.42
KDM4E B2RXH2 1/20 0.42
EPHX2 P34913 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 2/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL1445986 0.89 CYP1A2 (0.49) CYP1A2TAAR1NPC1RAB9AMAPT
SCHEMBL1446069 0.89 CYP1A2 (0.42) CYP1A2RAB9AMAPTPLK4ADRB3
SCHEMBL1446501 0.87 CYP1A2 (0.56) CYP1A2TAAR1NPC1RAB9AMAPT
SCHEMBL1447101 0.86 MAPT (0.47) NPC1RAB9AMAPTPLK4EPHX2
SCHEMBL1447134 0.85 CYP1A2 (0.53) CYP1A2TAAR1NPC1RAB9AMAPT
SCHEMBL1447093 0.84 CYP1A2 (0.53) CYP1A2TAAR1NPC1RAB9AMAPT
SCHEMBL1445997 0.84 CYP1A2 (0.53) CYP1A2TAAR1NPC1RAB9AMAPT
SCHEMBL1446011 0.83 CYP1A2 (0.56) CYP1A2TAAR1NPC1RAB9AMAPT
SCHEMBL1445984 0.83 CYP1A2 (0.53) CYP1A2TAAR1NPC1RAB9AMAPT
SCHEMBL1446190 0.83 TAAR1 (0.51) CYP1A2TAAR1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910743-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-03-22 US claimed
US-20090324511-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-12-31 US claimed
US-20070066626-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-03-22 US claimed
US-7910743-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-03-22 US disclosed
US-7538223-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-05-26 US disclosed
US-20070066626-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-03-22 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 (2 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-20090324511-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885TAAR1 4657/4885NPC1 4608/4885
US-20070066626-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885TAAR1 4657/4885NPC1 4608/4885

“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.