SCHEMBL15907172

SCHEMBL15907172

Cc1cnc(C(=O)Nc2cnc(N3CCCCC3)c(C)c2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.48
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SCN10A Q9Y5Y9 10/20 0.45
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL18323502 0.87 SCN10A (0.49) DHODHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL15907218 0.77 MTOR (0.43) DHODHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL25646846 0.75 DHODH (0.53) DHODHSCN10ALMNA
SCHEMBL15907173 0.72 SCN10A (0.42) DHODHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL15907171 0.72 DHODH (0.48) DHODHMAPTSMN1; SMN2SCN10ALMNA
SCHEMBL15907169 0.71 DHODH (0.47) DHODHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL15907170 0.70 SCN10A (0.46) DHODHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL18323501 0.70 KCNQ3 (0.51) DHODHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL15907179 0.69 RAB9A (0.52) NPC1MAPTRAB9ASMN1; SMN2LMNA
SCHEMBL15907174 0.68 DHODH (0.44) DHODHMAPTSCN10ALMNA

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 DHODH 3179/4885NPC1 3370/4885MAPT 164/4885

“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.