SCHEMBL13018708

SCHEMBL13018708

NCC1CN(c2ccnc(N)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.55
▸ HRH4 Q9H3N8 3/20 0.53
▸ PRKCQ Q04759 2/20 0.48
▸ ROCK1 Q13464 6/20 0.44
▸ CDC7 O00311 5/20 0.40
▸ CDK2 P24941 5/20 0.40

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
SCHEMBL13018663 0.81 HRH3 (0.70) HRH3HRH4ROCK1CDC7CDK2
SCHEMBL17626690 0.79 HRH3 (0.63) HRH3HRH4ROCK1CDC7CDK2
SCHEMBL27730153 0.79 HRH3 (0.58) HRH3HRH4ROCK1CDC7CDK2
SCHEMBL17626635 0.79 HRH3 (0.60) HRH3HRH4ROCK1CDC7CDK2
SCHEMBL31227206 0.79 HRH3 (0.58) HRH3HRH4ROCK1CDC7CDK2
SCHEMBL13018541 0.77 HRH3 (0.60) HRH3HRH4PRKCQROCK1
SCHEMBL13506774 0.75 HRH3 (0.57) HRH3HRH4ROCK1
SCHEMBL13018737 0.75 HRH3 (0.60) HRH3HRH4ROCK1CDC7CDK2
SCHEMBL3536631 0.75 HRH3 (0.55) HRH3HRH4ROCK1
SCHEMBL30524183 0.75 HRH3 (0.57) HRH3HRH4ROCK1

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 2/4885PRKCQ 2122/4885

“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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