SCHEMBL2651963

SCHEMBL2651963

N#Cc1sccc1-c1cc(N)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
PGR P06401 1/20 0.34
MAP4K4 O95819 1/20 0.33
PTGS1 P23219 1/20 0.33
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
USP2 O75604 1/20 0.30
MDM4 O15151 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL2651316 0.81 PGR (0.34) PGRPTGS1
SCHEMBL2649654 0.78 EGLN2 (0.41) BRD4PGRMAP4K4KDM4EALDH1A1
SCHEMBL2651689 0.75 ALDH1A1 (0.44) KDM4EALDH1A1MAPTNPC1
SCHEMBL2813076 0.74 BRD4 (0.50) BRD4MAP4K4ALDH1A1MAPTMAPK1
SCHEMBL2651214 0.73 KDM1A (0.36) PGRPTGS1
SCHEMBL21020651 0.70 EGLN2 (0.48) BRD4MAP4K4NPC1
SCHEMBL2651126 0.70 ALOX5AP (0.44) BRD4KDM4EALDH1A1MAPTMAPK1
SCHEMBL2648034 0.69 GABRA1 (0.42) BRD4MAP4K4KDM4EALDH1A1MAPT
SCHEMBL2648001 0.69 ADORA1 (0.42) BRD4KDM4EALDH1A1MAPK1MDM4
SCHEMBL2650000 0.69 GABRA1 (0.42) BRD4KDM4EALDH1A1MAPTUSP2

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 BRD4 827/4885PGR 2045/4885MAP4K4 1947/4885

“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.