SCHEMBL13018739

SCHEMBL13018739

Nc1nccc(N2CCC3(CCN([RaH])C3)C2)n1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.60
▸ HRH4 Q9H3N8 1/20 0.49
▸ ROCK1 Q13464 9/20 0.39
▸ OGA O60502 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ MAP3K14 Q99558 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ CDK2 P24941 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
SCHEMBL13018736 0.76 HRH3 (0.70) HRH3HRH4ROCK1OGAMAP3K14
SCHEMBL2166795 0.75 HRH3 (1.00) HRH3HRH4ROCK1OGAROCK2
SCHEMBL13018665 0.75 HRH3 (0.65) HRH3HRH4ROCK1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3786113 0.74 HRH3 (0.97) HRH3HRH4ROCK1OGAROCK2
SCHEMBL13018670 0.74 HRH3 (0.76) HRH3HRH4ROCK1ROCK2ALDH1A1
SCHEMBL27454974 0.73 HRH3 (0.66) HRH3HRH4ROCK1OGAROCK2
SCHEMBL30954035 0.73 HRH3 (0.66) HRH3HRH4ROCK1OGAROCK2
SCHEMBL18072491 0.71 HRH3 (0.62) HRH3HRH4ROCK1OGAROCK2
SCHEMBL17626748 0.70 HRH3 (0.71) HRH3HRH4ROCK1OGAMAP3K14
SCHEMBL14880196 0.70 HRH3 (0.71) HRH3HRH4ROCK1OGAHSD17B10

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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 — — 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-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES HRH2, HRH4, HRH3 HRH3 3/4885HRH4 2/4885ROCK1 4266/4885

“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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