SCHEMBL1445997

SCHEMBL1445997

C[C@@H](CNCS(=O)(=O)N(C)C)Oc1cc(F)cc(NC(=O)Nc2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
TAAR1 Q96RJ0 1/20 0.46
PLK4 O00444 1/20 0.42
PAK4 O96013 1/20 0.42
NTRK1 P04629 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NAMPT P43490 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
P2RX4 Q99571 1/20 0.40
NOTUM Q6P988 1/20 0.39
HTT P42858 3/20 0.39

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
SCHEMBL1447093 1.00 CYP1A2 (0.53) CYP1A2TAAR1PLK4PAK4NTRK1
SCHEMBL1447134 0.92 CYP1A2 (0.53) CYP1A2TAAR1PLK4PAK4NTRK1
SCHEMBL1447116 0.89 CYP1A2 (0.48) CYP1A2TAAR1PLK4PAK4NTRK1
SCHEMBL1446006 0.89 CYP1A2 (0.48) CYP1A2TAAR1PLK4PAK4NTRK1
SCHEMBL1446217 0.89 CYP1A2 (0.40) CYP1A2PLK4MAPTKDM4EMEN1
SCHEMBL1447195 0.89 CYP1A2 (0.40) CYP1A2PLK4MAPTKDM4EMEN1
SCHEMBL1446421 0.84 TAAR1 (0.54) CYP1A2TAAR1NPC1RAB9AMAPT
SCHEMBL1446014 0.84 CYP1A2 (0.54) CYP1A2TAAR1PLK4PAK4NTRK1
SCHEMBL1446374 0.83 CYP1A2 (0.53) CYP1A2TAAR1PLK4PAK4NTRK1
SCHEMBL1446376 0.82 CYP1A2 (0.51) CYP1A2TAAR1PLK4PAK4NTRK1

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-20090324511-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-12-31 US claimed
US-7910743-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-03-22 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 (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-20090324511-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885TAAR1 4657/4885PLK4 1476/4885

“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.