SCHEMBL6796628

SCHEMBL6796628

O=c1[nH]c(=O)c2[nH]c(-c3ccc(S(=O)(=O)O)cc3)nc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 14/20 0.64
▸ ADORA2A P29274 6/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 4/20 0.55
▸ HSD17B10 Q99714 4/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ GLA P06280 3/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ ADORA3 P0DMS8 4/20 0.51
▸ ADORA1 P30542 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ XDH P47989 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HDAC6 Q9UBN7 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
SCHEMBL378879 0.79 ADORA2B (1.00) ADORA2BADORA2AALDH1A1HPGDMEN1
SCHEMBL14577679 0.76 ADORA2B (0.52) ADORA2BADORA2AALDH1A1HPGDHSD17B10
SCHEMBL19211635 0.75 ADORA2B (0.57) ADORA2BADORA2AALDH1A1HPGDHSD17B10
SCHEMBL9260246 0.73 ADORA2B (0.62) ADORA2BADORA2AMEN1KMT2AADORA3
SCHEMBL29600264 0.72 MAPT (0.47) ADORA2BADORA2AALDH1A1HPGDHSD17B10
SCHEMBL1051055 0.71 ADORA2B (0.60) ADORA2BALDH1A1HPGDHSD17B10KDM4E
SCHEMBL1223271 0.71 ADORA2B (1.00) ADORA2BADORA2AALDH1A1HPGDHSD17B10
SCHEMBL4927186 0.70 ADORA2B (0.70) ADORA2BALDH1A1HPGDKDM4ETSHR
SCHEMBL5970527 0.69 ADORA2B (0.57) ADORA2BADORA2AALDH1A1HPGDHSD17B10
SCHEMBL17565779 0.69 ALDH1A1 (0.50) ADORA2BADORA2AALDH1A1HPGDHSD17B10

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
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 — — WO claimed
US-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-01-08 — — US disclosed
US-4696932-A ANTIALLERGENS, ANTIHISTAMINES, CARDIOTONIC AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1987-09-29 — — US 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-20040006082-A1 2-Aminopyridine compounds and use thereof as drugs ADORA1, ADORA2B, ADORA2A ADORA2B 2/4885ADORA2A 3/4885ALDH1A1 455/4885

“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.

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