SCHEMBL5264559

SCHEMBL5264559

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nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
BTK Q06187 1/20 0.46
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
TSHR P16473 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38

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
SCHEMBL10328238 1.00 HRH3 (0.46) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL1072603 1.00 HRH3 (0.46) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL17754267 0.94 HRH3 (0.43) HRH3BTKKMT2AHSD17B10SMN1; SMN2
Ethylene Glycol SCHEMBL1297229 0.92 KMT2A (0.43) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL28492122 0.91 HRH3 (0.51) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL1295721 0.91 HRH3 (0.51) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL186721 0.91 HRH3 (0.51) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL7891258 0.90 BTK (0.50) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL18873494 0.89 HRH3 (0.40) HRH3BTKKMT2AHSD17B10SMN1; SMN2
SCHEMBL11752523 0.84 HRH3 (0.47) HRH3BTKKMT2AHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
CN-1835953-A 4-Cycloalkylaminopyrazolopyrimidine NMDA/NR2B antagonists MERCK & CO INC (US) 2006-09-20 CN 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-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH HRH3 171/4885BTK 2825/4885KMT2A 4848/4885

“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.