SCHEMBL2650106

SCHEMBL2650106

Nc1ccc(F)c(-c2ccncc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.49
MAP4K4 O95819 1/20 0.47
MAPK14 Q16539 2/20 0.46
GCGR P47871 1/20 0.46
ADRA2B P18089 1/20 0.44
PIK3CB P42338 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNA1 Q09470 1/20 0.41

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
SCHEMBL18034627 0.84 IMPDH2 (0.49) IMPDH2MAPK14GCGRADRA2BPIK3CB
SCHEMBL3786455 0.83 MAP4K4 (0.53) MAP4K4MAPK14GCGRMAPTSMN1; SMN2
SCHEMBL27833455 0.81 IMPDH2 (0.44) IMPDH2MAP4K4MAPK14GCGRADRA2B
SCHEMBL16405694 0.81 IMPDH2 (0.53) IMPDH2MAPK14GCGRPIK3CBMAPT
SCHEMBL2651805 0.79 MAP4K4 (0.44) IMPDH2MAP4K4
SCHEMBL957251 0.79 MAP4K4 (0.50) MAP4K4MAPK14GCGRMAPK13MAPK12
SCHEMBL1883277 0.79 IMPDH2 (0.51) IMPDH2MAPK14GCGRADRA2BPIK3CB
SCHEMBL3787110 0.79 MAOA (0.46) MAP4K4MAPTLMNASMN1; SMN2MEN1
SCHEMBL25184277 0.79 MAPK14 (0.47) MAPK14GCGRMAPK13MAPK12MAPK11
SCHEMBL21652626 0.78 LMNA (0.50) MAPK14GCGRMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137599-A Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2018-06-08 CN disclosed
EP-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP disclosed
US-6960598-B2 (1,8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses MERCK SHARP & DOHME LTD. 2005-11-01 US disclosed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 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
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
EP-1343788-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-09-17 EP 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
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed
WO-2002074772-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 WO disclosed
WO-2002038568-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 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 (3 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 IMPDH2 1557/4885MAP4K4 1947/4885MAPK14 2886/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 IMPDH2 2542/4885MAP4K4 1292/4885MAPK14 2598/4885
US-20040171633-A1 (1, 8) naphthyridines as gaba ligands, their pharmaceutical compositions and uses GABRA1, GABRA4, GABRA6 IMPDH2 2653/4885MAP4K4 2241/4885MAPK14 4058/4885

“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.