SCHEMBL15907211

SCHEMBL15907211

C#Cc1cc(C#N)cc(NC(=O)c2cnc(N3CCCCC3)c(C)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 5/20 0.47
LRRK2 Q5S007 1/20 0.42
ABL1 P00519 4/20 0.42
DHODH Q02127 2/20 0.40
FASN P49327 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNH2 Q12809 1/20 0.39
PLAU P00749 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 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
SCHEMBL15907170 0.91 SCN10A (0.46) SCN10ALRRK2ABL1DHODHFASN
SCHEMBL15907198 0.84 SCN10A (0.48) SCN10ADHODHALDH1A1MAPTLMNA
SCHEMBL15907206 0.79 KCNQ3 (0.47) SCN10AABL1DHODHMAPTLMNA
SCHEMBL15907169 0.78 DHODH (0.47) SCN10ADHODHALDH1A1MAPTLMNA
SCHEMBL15907293 0.76 DHODH (0.40) SCN10ALRRK2ABL1DHODHFASN
SCHEMBL15907171 0.74 DHODH (0.48) SCN10AABL1DHODHMAPTLMNA
SCHEMBL15907230 0.73 MAPT (0.38) SCN10ADHODHMAPTLMNATP53
SCHEMBL15907224 0.73 MPL (0.36) SCN10AABL1DHODHPLAUMAPT
SCHEMBL18323501 0.72 KCNQ3 (0.51) SCN10ADHODHALDH1A1MAPTTP53
SCHEMBL15907218 0.71 MTOR (0.43) SCN10AABL1DHODHALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
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 SCN10A 2019/4885LRRK2 219/4885ABL1 1/4885

“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.