SCHEMBL13801486

SCHEMBL13801486

CC(N)Cc1cnc(N)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.48
▸ HRH3 Q9Y5N1 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ AOC3 Q16853 2/20 0.46
▸ HRH1 P35367 1/20 0.34
▸ SCN10A Q9Y5Y9 2/20 0.34
▸ SLC6A2 P23975 2/20 0.33
▸ TAAR1 Q96RJ0 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL12598586 0.86 AOC3 (0.47) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL59810 0.74 SLC7A5 (0.54) ALDH1A1MEN1KMT2ACYP1A2NFKB1
SCHEMBL5289317 0.74 SLC7A5 (0.54) ALDH1A1MEN1KMT2ACYP1A2NFKB1
SCHEMBL13095827 0.74 SLC7A5 (0.54) ALDH1A1MEN1KMT2ACYP1A2NFKB1
SCHEMBL3445980 0.74 — —
SCHEMBL216691 0.70 — —
SCHEMBL481044 0.68 GPR84 (0.50) HRH3KMT2AAOC3
SCHEMBL28046126 0.68 AOC3 (0.36) AOC3
SCHEMBL12598153 0.67 AOC3 (0.48) HRH4HRH3AOC3HRH1
SCHEMBL18071081 0.66 GRIA1 (0.46) ALDH1A1MEN1KMT2ACYP1A2AOC3

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-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 — — 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-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR HRH4 234/4885HRH3 391/4885ALDH1A1 3729/4885

“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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