SCHEMBL17626789

SCHEMBL17626789

Nc1nccc(N2CCN(CCF)CC2)n1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.65
▸ HRH4 Q9H3N8 1/20 0.65
▸ SORD Q00796 1/20 0.44
▸ OGA O60502 1/20 0.42
▸ ROCK1 Q13464 4/20 0.41
▸ CXCR4 P61073 1/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ DRD3 P35462 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
SCHEMBL20445925 0.85 HRH3 (0.65) HRH3HRH4SORDROCK1
SCHEMBL27901036 0.81 HRH3 (0.69) HRH3HRH4SORDOGAROCK1
SCHEMBL26440599 0.81 HRH3 (0.59) HRH3HRH4SORDOGAROCK1
SCHEMBL2166051 0.79 HRH4 (1.00) HRH3HRH4
SCHEMBL14880196 0.77 HRH3 (0.71) HRH3HRH4SORDOGAROCK1
SCHEMBL17626748 0.77 HRH3 (0.71) HRH3HRH4SORDOGAROCK1
SCHEMBL17626798 0.77 HRH3 (0.64) HRH3HRH4SORDROCK1CXCR4
SCHEMBL13018736 0.76 HRH3 (0.70) HRH3HRH4SORDOGAROCK1
Bromide SCHEMBL20445910 0.75 HRH3 (0.69) HRH3HRH4SORDOGAROCK1
SCHEMBL10932400 0.75 HRH3 (0.69) HRH3HRH4OGAROCK1CXCR4

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 73/4885SORD 3446/4885

“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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