SCHEMBL2653518

SCHEMBL2653518

Nc1ccc(F)c(-c2ccc(F)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.44
MAP4K4 O95819 1/20 0.41
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA5 P31644 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA1 P14867 2/20 0.40
GABRA2 P47869 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MPL P40238 1/20 0.36
TRPV3 Q8NET8 1/20 0.35
NPC1 O15118 1/20 0.35
BRD4 O60885 1/20 0.35
LDHA P00338 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL14018473 0.86 KDM1A (0.44) KDM1AGABRG2GABRB3GABRA5GABRA3
SCHEMBL7086289 0.86 ALDH1A1 (0.36) KDM1AMAP4K4NPC1LDHAALOX5AP
SCHEMBL31387540 0.83 ABL1 (0.41) ALOX5APFEN1
SCHEMBL25391149 0.83 KDM1A (0.43) KDM1ALDHAALOX5APFEN1GRM5
SCHEMBL25395260 0.83 ABL1 (0.41) ALOX5APFEN1
SCHEMBL5685503 0.81 KDM1A (0.40) KDM1ANPC1LDHAALOX5APFEN1
SCHEMBL26251133 0.80 GLA (0.44) KDM1AMPLALOX5APFEN1TGFBR1
SCHEMBL25396576 0.79 FEN1 (0.40) ALOX5APFEN1
SCHEMBL31387678 0.79 FEN1 (0.40) ALOX5APFEN1
SCHEMBL26251016 0.79 FEN1 (0.42) NPC1LDHAALOX5APFEN1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP 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-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1343788-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-09-17 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-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 (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 KDM1A 2899/4885MAP4K4 1947/4885GABRG2 15/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 KDM1A 2587/4885MAP4K4 1292/4885GABRG2 14/4885

“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.