SCHEMBL16355457

SCHEMBL16355457

CC#Cc1ccc(-c2cnc([C@@H](C)N)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 7/20 0.43
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
SCN5A Q14524 2/20 0.37
NLN Q9BYT8 2/20 0.37
SSTR1 P30872 1/20 0.34

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
SCHEMBL16355456 0.83 CYP1A1 (0.37) SCN10ACYP1A1CYP1A2CYP1B1SCN5A
SCHEMBL16355448 0.80 SCN10A (0.41) SCN10ACYP1A2SCN5ANLN
SCHEMBL20900024 0.78 EGFR (0.46) SCN10ASCN5ANLN
SCHEMBL20900023 0.78 EGFR (0.46) SCN10ASCN5ANLN
SCHEMBL19323265 0.78 TRPV1 (0.44) SCN10ASCN5ANLN
SCHEMBL18480825 0.78 MASP2 (0.55) SSTR1
SCHEMBL20900140 0.78 MASP2 (0.55) SSTR1
SCHEMBL15113143 0.77 SCN10A (0.40) SCN10ASCN5ANLN
SCHEMBL20054101 0.77 SCN10A (0.40) SCN10ASCN5ANLN
Hydrochloric Acid SCHEMBL18438992 0.76 MASP2 (0.53) SSTR1

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-20140378416-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. 2014-12-25 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-20140378416-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1L, HBS1L, HAVCR2 SCN10A 4051/4885CYP1A1 713/4885CYP1A2 585/4885

“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.