SCHEMBL16355448

SCHEMBL16355448

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 5/20 0.41
SCN5A Q14524 2/20 0.41
SMPD3 Q9NY59 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NLN Q9BYT8 2/20 0.41
EGFR P00533 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 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
SCHEMBL11965519 0.86 MEN1 (0.43) SMPD3MEN1LMNACYP1A2CYP3A4
SCHEMBL19323265 0.85 TRPV1 (0.44) SCN10ASCN5ANLNEGFR
SCHEMBL20900023 0.85 EGFR (0.46) SCN10ASCN5AMAPTNLNEGFR
SCHEMBL20900024 0.85 EGFR (0.46) SCN10ASCN5AMAPTNLNEGFR
SCHEMBL18480825 0.84 MASP2 (0.55)
SCHEMBL20900140 0.84 MASP2 (0.55)
Hydrochloric Acid SCHEMBL18438992 0.83 MASP2 (0.53)
SCHEMBL10254066 0.82 HPGDS (0.49) SCN10ASCN5ANLN
SCHEMBL12159164 0.81 HPGDS (0.44) SCN10ASCN5ANLN
SCHEMBL12107481 0.81 NLN (0.48) SCN10ASCN5ANLN

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 4051/4885SCN5A 3025/4885SMPD3 2443/4885

“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.