SCHEMBL15907216

SCHEMBL15907216

C#Cc1cc(C#N)cc(NC(=O)C2=CCC(C)=C2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.39
SCN10A Q9Y5Y9 3/20 0.38
KCNH2 Q12809 2/20 0.38
SCN2A Q99250 1/20 0.34
SETD7 Q8WTS6 1/20 0.33
MAPK14 Q16539 2/20 0.33
RIPK1 Q13546 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CISD2 Q8N5K1 1/20 0.33
HTT P42858 1/20 0.33
GRM4 Q14833 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32

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
SCHEMBL15907205 0.82 MEN1 (0.49) KCNH2MAPK14RXFP1HTT
SCHEMBL15907190 0.81 GRM5 (0.35)
SCHEMBL15907212 0.72 GRM4 (0.39) HTTGRM4
SCHEMBL15907215 0.69 KMT2A (0.46) GPR35
SCHEMBL15907214 0.69 KMT2A (0.50) MAPK14RXFP1
SCHEMBL13400506 0.67 THRB (0.51) SCN10AKCNH2HTT
SCHEMBL18323202 0.67 SIRT2 (0.37) GPR35SCN10AKCNH2
SCHEMBL15907211 0.66 SCN10A (0.47) SCN10AKCNH2
SCHEMBL15981013 0.65 HDAC6 (0.38)
SCHEMBL13927153 0.65 LMNA (0.52) HTT

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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 GPR35 3706/4885SCN10A 2019/4885KCNH2 3467/4885

“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.