SCHEMBL15907170

SCHEMBL15907170

C#Cc1cc(C#N)cc(C(=O)Nc2cnc(N3CCCCC3)c(C)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 5/20 0.46
DHODH Q02127 2/20 0.44
LRRK2 Q5S007 1/20 0.42
FASN P49327 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ABL1 P00519 1/20 0.38
RORC P51449 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL15907211 0.91 SCN10A (0.47) SCN10ADHODHLRRK2FASNTP53
SCHEMBL15907169 0.85 DHODH (0.47) SCN10ADHODHTP53MAPTALDH1A1
SCHEMBL15907171 0.80 DHODH (0.48) SCN10ADHODHTP53MAPTABL1
SCHEMBL15907298 0.78 DHODH (0.38) SCN10ADHODHLRRK2FASNTP53
SCHEMBL18323186 0.78 DHODH (0.38) SCN10ADHODHLRRK2FASNTP53
SCHEMBL15907198 0.78 SCN10A (0.48) SCN10ADHODHTP53MAPTALDH1A1
SCHEMBL18323501 0.77 KCNQ3 (0.51) SCN10ADHODHTP53MAPTALDH1A1
SCHEMBL15907280 0.77 DHODH (0.42) SCN10ADHODHLRRK2FASNTP53
SCHEMBL15907206 0.72 KCNQ3 (0.47) SCN10ADHODHTP53MAPTABL1
SCHEMBL15907173 0.72 SCN10A (0.42) SCN10ADHODHTP53MAPTNPC1

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 2019/4885DHODH 3179/4885LRRK2 219/4885

“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.