SCHEMBL26324516

SCHEMBL26324516

CCCNc1ccc(Br)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
PRSS1 P07477 10/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
GFER P55789 1/20 0.40
PLEC Q15149 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL2949748 0.89 TLR8 (0.45) PRSS1KDM4EALDH1A1GAAMAPT
SCHEMBL21590211 0.85 CCNC (0.44) HTTCCNCCDK8KDM4EMAPT
SCHEMBL29502113 0.85 ALDH1A1 (0.54) HTTPRSS1KDM4EALDH1A1GAA
SCHEMBL2018111 0.85 ALDH1A1 (0.54) HTTPRSS1KDM4EALDH1A1GAA
SCHEMBL18731527 0.84 PRSS1 (0.36) HTTPRSS1KDM4EALDH1A1GAA
SCHEMBL419935 0.81 PRSS1 (0.46) PRSS1ALDH1A1MAPTAAK1HDAC3
SCHEMBL29670372 0.81 PRSS1 (0.46) PRSS1ALDH1A1MAPTAAK1HDAC3
SCHEMBL15774438 0.81 PTGER4 (0.60) PRSS1KDM4EALDH1A1GAAMAPT
SCHEMBL17678059 0.81 NCF1 (0.44) PRSS1KDM4EALDH1A1GAAAAK1
SCHEMBL3637289 0.79 HDAC6 (0.59) HTTPRSS1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767298-B2 Substituted benzimidazoles as inhibitors of transforming growth factor-β kinase DUKE UNIVERSITY (US) 2023-09-26 US disclosed
US-11767298-B2 Substituted benzimidazoles as inhibitors of transforming growth factor-β kinase DUKE UNIVERSITY (US) 2023-09-26 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-11767298-B2 Substituted benzimidazoles as inhibitors of transforming growth factor-β kinase TAB1, CHUK, TGFBR1 HTT 4589/4885CCNC 1252/4885CDK8 391/4885

“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.