SCHEMBL2649544

SCHEMBL2649544

N#Cc1cccc(-c2cc(N)ccc2F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.54
GABRG2 P18507 5/20 0.47
GABRB3 P28472 5/20 0.47
GABRA5 P31644 5/20 0.47
GABRA3 P34903 5/20 0.47
NTRK1 P04629 2/20 0.45
PIK3CA P42336 1/20 0.45
CLK4 Q9HAZ1 1/20 0.44
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
MAP4K4 O95819 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
XDH P47989 1/20 0.40
LRRK2 Q5S007 1/20 0.40
BACE1 P56817 2/20 0.39
BACE2 Q9Y5Z0 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
SCHEMBL19579266 0.83 ADRA2C (0.54) ADRA2CGABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL6574813 0.82 ADRA2C (0.51) ADRA2CNTRK1PIK3CACLK4ADORA2A
SCHEMBL22115305 0.82 PTGDR2 (0.54) ADRA2CGABRG2GABRB3GABRA5GABRA3
SCHEMBL2650216 0.81 MAP4K4 (0.44) MAP4K4
SCHEMBL2649654 0.81 EGLN2 (0.41) ADRA2CMAP4K4BACE1
SCHEMBL19579319 0.81 ADRA2C (0.53) ADRA2CGABRG2GABRB3GABRA5GABRA3
SCHEMBL3784515 0.81 MAOA (0.50) MAP4K4MEN1LMNAMAPTKMT2A
SCHEMBL6572418 0.81 ADRA2C (0.50) ADRA2CNTRK1PIK3CACLK4ADORA2A
SCHEMBL2649140 0.81 GABRG2 (0.47) ADRA2CGABRG2GABRB3GABRA5GABRA3
SCHEMBL6011527 0.80 ADRA2C (0.53) ADRA2CGABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960598-B2 (1,8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. 2005-11-01 US disclosed
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
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. (GB) 2004-09-02 US disclosed
WO-2003006464-A1 (1,8) NAPHTHYRIDINES AS GABA LIGANDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES MERCK SHARP & DOHME LIMITED (GB) 2003-01-23 WO disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 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 (2 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 ADRA2C 59/4885GABRG2 15/4885GABRB3 8/4885
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses GABRA1, GABRA4, GABRA6 ADRA2C 30/4885GABRG2 14/4885GABRB3 11/4885

“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.