SCHEMBL2651744

SCHEMBL2651744

Nc1ccc(F)c(-c2ncccc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 9/20 0.51
GABRB3 P28472 9/20 0.51
GABRA5 P31644 9/20 0.51
GABRA3 P34903 9/20 0.51
GABRA1 P14867 8/20 0.51
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAP4K4 O95819 2/20 0.41
BRD4 O60885 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL30549074 1.00 GABRG2 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL7088757 0.88 GABRG2 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL5685472 0.83 NPC1 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2649411 0.81 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2651950 0.79 MAP4K4 (0.44) ALDH1A1SMN1; SMN2KDM4ETP53HSP90AA1
SCHEMBL2648865 0.79 GABRA5 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15668535 0.76 PLAU (0.46) ALDH1A1SMN1; SMN2KDM4ETP53HSP90AA1
SCHEMBL31306178 0.76 TRPV1 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL30430026 0.75 MAP4K4 (0.54) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2716198 0.75 MAP4K4 (0.54) GABRG2GABRB3GABRA5GABRA3GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271936-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271936-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271936-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-08-31 US disclosed
EP-4194443-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-06-14 EP disclosed
EP-4194443-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-06-14 EP disclosed
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
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
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-20230271936-A1 EFGR INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF EGFR, WEE1, WEE2 GABRG2 678/4885GABRB3 2769/4885GABRA5 2088/4885
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 GABRG2 14/4885GABRB3 9/4885GABRA5 2/4885

“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.