Sugi Predict

Sugi Predict / Compounds / SCHEMBL2654034

SCHEMBL2654034

SCHEMBL2654034

NCCc1cc(-c2cccc(Br)c2)cnn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 10/20 0.56
▸ GABRB3 P28472 10/20 0.56
▸ GABRA5 P31644 10/20 0.56
▸ GABRA3 P34903 10/20 0.56
▸ GABRA1 P14867 7/20 0.56
▸ HRH1 P35367 1/20 0.51
▸ HRH4 Q9H3N8 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.45
▸ BIRC5 O15392 1/20 0.41
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ METAP2 P50579 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL2654109 0.72 GABRG2 (0.63) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2652581 0.72 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653507 0.71 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL28822488 0.69 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2653081 0.69 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL15974857 0.69 HRH1 (0.57) HRH1HRH4TAAR1BIRC5NPC1
SCHEMBL2654031 0.69 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL29546450 0.67 ALDH1A1 (0.52) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL312091 0.67 ALDH1A1 (0.52) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL17460460 0.67 GABRG2 (0.55) 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 7 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 claimed
EP-1532120-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 — — EP claimed
WO-2004014865-A1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 — — WO claimed
EP-1532120-B1 PHENYLPYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2009-01-14 — — EP disclosed
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 GABRG2 20/4885GABRB3 8/4885GABRA5 1/4885

“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.