SCHEMBL2652995

SCHEMBL2652995

O=c1cc(-c2cccc(Br)c2)cn[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.47
IDO1 P14902 1/20 0.47
GABRG2 P18507 8/20 0.45
GABRB3 P28472 8/20 0.45
GABRA5 P31644 8/20 0.45
GABRA3 P34903 8/20 0.45
GABRA1 P14867 7/20 0.45
BIRC5 O15392 1/20 0.45
MAPT P10636 2/20 0.45
TDP2 O95551 1/20 0.43
GPR55 Q9Y2T6 1/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
NOS1 P29475 1/20 0.41
CSNK2A1 P68400 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 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
SCHEMBL497670 0.80 GSK3B (0.52) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL10538440 0.79 NOTUM (0.49) IDO1TDP2HPGD
SCHEMBL22347150 0.79 MAP4K4 (0.49) METAP2TDP2MEN1
SCHEMBL5562512 0.79 NOTUM (0.47) METAP2IDO1
Hydrochloric Acid SCHEMBL30015447 0.78 GSK3B (0.50) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL10536966 0.76 IDO1 (0.51) IDO1MAPTHTT
SCHEMBL4716316 0.76 IDO1 (0.51) IDO1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3089533 0.73 AKT1 (0.59) METAP2IDO1GABRG2GABRB3GABRA5
SCHEMBL18790699 0.72 CLK1 (0.49) ALDH1A1
SCHEMBL29546450 0.72 ALDH1A1 (0.52) METAP2IDO1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-10-19 US disclosed
EP-1532120-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP disclosed
WO-2004014865-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 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-20060235021-A1 Phenylpyridazine derivatives as ligands for gaba receptors GABRA5, GABRA2, GABRA3 METAP2 3096/4885IDO1 2864/4885GABRG2 20/4885

“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.