SCHEMBL17626774

SCHEMBL17626774

COC1CN(c2ccnc(N)n2)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.55
▸ HRH4 Q9H3N8 3/20 0.55
▸ ROCK1 Q13464 8/20 0.47
▸ PDE10A Q9Y233 1/20 0.44
▸ MAP4K4 O95819 2/20 0.42
▸ OGA O60502 1/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ CDK2 P24941 1/20 0.39

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
SCHEMBL18691293 0.88 HRH3 (0.60) HRH3HRH4ROCK1MAP4K4OGA
SCHEMBL17626880 0.88 HRH3 (0.60) HRH3HRH4ROCK1MAP4K4OGA
SCHEMBL17626627 0.88 HRH3 (0.60) HRH3HRH4ROCK1MAP4K4OGA
SCHEMBL17626635 0.81 HRH3 (0.60) HRH3HRH4ROCK1CDC7CDK2
SCHEMBL15260161 0.81 PDE10A (0.44) HRH4PDE10AMAP4K4OGA
SCHEMBL13018663 0.80 HRH3 (0.70) HRH3HRH4ROCK1CDC7CDK2
SCHEMBL31227206 0.78 HRH3 (0.58) HRH3HRH4ROCK1CDC7CDK2
SCHEMBL27730153 0.78 HRH3 (0.58) HRH3HRH4ROCK1CDC7CDK2
SCHEMBL17626690 0.78 HRH3 (0.63) HRH3HRH4ROCK1CDC7CDK2
SCHEMBL3536631 0.77 HRH3 (0.55) 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-9801961-B2 2-phenylimidazo[1,2-a]pyrimidines as imaging agents HOFFMANN-LA ROCHE INC. (US) 2017-10-31 — — US disclosed
US-20170128598-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS HOFFMANN-LA ROCHE INC. (US) 2017-05-11 — — US disclosed
EP-2999701-B1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS HOFFMANN LA ROCHE (US) 2017-04-12 — — EP disclosed
EP-2999701-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS Hoffmann-La Roche Inc. (US) 2016-03-30 — — EP 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-20170128598-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS MAPT, AOC2, AOC3 HRH3 14/4885HRH4 73/4885ROCK1 2550/4885

“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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