SCHEMBL4383676

SCHEMBL4383676

Cc1ccc(Cl)cc1CNC(=O)c1csc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HTT P42858 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2D6 P10635 1/20 0.44
SCN10A Q9Y5Y9 3/20 0.43
SCN2A Q99250 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
DDR1 Q08345 4/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
SLC40A1 Q9NP59 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
SCHEMBL5668312 0.86 CYP1A2 (0.41) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL4383943 0.85 SCN10A (0.48) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL4389894 0.84 TRPV1 (0.58) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL4385832 0.83 CYP1A2 (0.52) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL2172030 0.82 MAPT (0.51) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL2175901 0.82 SCN2A (0.47) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL5669948 0.82 CYP1A2 (0.47) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL4391359 0.82 MEN1 (0.42) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL4396904 0.82 MAPT (0.48) MAPTHTTCYP1A2CYP3A4CYP2C9
SCHEMBL4390910 0.81 MAPT (0.61) MAPTHTTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US claimed

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 MAPT 4524/4885HTT 4406/4885CYP1A2 3488/4885

“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.