SCHEMBL10101748

SCHEMBL10101748

[C-]#[N+]c1ccc2ccn(Cc3cn(C)cn3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10101690 0.77 — —
SCHEMBL24414580 0.68 KRAS (0.42) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL30991780 0.68 KRAS (0.42) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL24414579 0.67 CDC7 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL30991791 0.67 CDC7 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL21608546 0.61 CYP2C9 (0.36) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL21608419 0.61 CYP2C9 (0.36) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL21555215 0.60 CYP2C9 (0.44) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL743854 0.60 — —
Hydrochloric Acid SCHEMBL1186779 0.59 — —

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-20120028940-A1 FUNCTIONALLY SELECTIVE AZANITRILE ALPHA-2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-02-02 — — 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-20120028940-A1 FUNCTIONALLY SELECTIVE AZANITRILE ALPHA-2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A CYP2C9 1720/4885TSHR 285/4885CYP2C19 1263/4885

“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.

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