SCHEMBL2653522

SCHEMBL2653522

COc1ccnc(-c2cc([N+](=O)[O-])ccc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.49
CCR5 P51681 1/20 0.49
CCR8 P51685 1/20 0.49
AMY1A P0DUB6 1/20 0.46
ALDH1A1 P00352 1/20 0.42
HIF1A Q16665 1/20 0.42
SNCA P37840 2/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 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
SCHEMBL7237609 0.85 CCR1 (0.50) CCR1CCR5CCR8AMY1AALDH1A1
SCHEMBL10332987 0.84 CCR1 (0.49) CCR1CCR5CCR8ALDH1A1SNCA
SCHEMBL10615153 0.84 CCR1 (0.49) CCR1CCR5CCR8AMY1AALDH1A1
SCHEMBL2658617 0.82 ALDH1A1 (0.45) CCR1CCR5CCR8AMY1AALDH1A1
SCHEMBL27322683 0.81 CCR1 (0.63) CCR1CCR5CCR8NPC1RAB9A
SCHEMBL27592804 0.79 CCR1 (0.59) CCR1CCR5CCR8PIK3CAPIK3CG
SCHEMBL7232304 0.78 CCR1 (0.47) CCR1CCR5CCR8ALDH1A1PIK3CA
SCHEMBL13985936 0.77 CCR1 (0.66) CCR1CCR5CCR8NPC1RAB9A
Dimethylcarbate SCHEMBL10333388 0.77 CCR1 (0.40) CCR1CCR5CCR8ALDH1A1SNCA
SCHEMBL10333242 0.77 MAPT (0.43) CCR1CCR5CCR8ALDH1A1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 CCR1 1269/4885CCR5 1647/4885CCR8 1814/4885

“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.