SCHEMBL13018712

SCHEMBL13018712

NCC1CCN1c1ccnc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.53
▸ HRH4 Q9H3N8 1/20 0.46
▸ ROCK1 Q13464 11/20 0.42
▸ MAP3K14 Q99558 1/20 0.39
▸ CDC7 O00311 3/20 0.38
▸ CDK2 P24941 3/20 0.38

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
SCHEMBL22616998 0.77 HRH3 (0.48) HRH3HRH4ROCK1
SCHEMBL13018708 0.71 HRH3 (0.55) HRH3HRH4ROCK1CDC7CDK2
SCHEMBL25481832 0.70 HRH3 (0.50) HRH3HRH4ROCK1
SCHEMBL25481828 0.70 HRH3 (0.50) HRH3HRH4ROCK1
SCHEMBL25481443 0.70 HRH3 (0.50) HRH3HRH4ROCK1
SCHEMBL7391751 0.70 HSD11B1 (0.42) —
SCHEMBL3784623 0.69 HRH3 (1.00) HRH3HRH4ROCK1
SCHEMBL17626780 0.69 HRH3 (0.81) HRH3HRH4ROCK1MAP3K14
SCHEMBL17626798 0.69 HRH3 (0.64) HRH3HRH4ROCK1
Hydrochloric Acid SCHEMBL9005386 0.69 HSD11B1 (0.41) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 — — US disclosed
US-8796297-B2 4-substituted-2-amino-pyrimidine derivatives ABBVIE INC. (US) 2014-08-05 — — US disclosed
US-20100331294-A1 4-SUBSTITUTED-2-AMINO-PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2010-12-30 — — US disclosed
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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