SCHEMBL5438523

SCHEMBL5438523

O=c1c2nc[nH]c2ncn1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNOT7 Q9UIV1 1/20 0.40
▸ HCAR1 Q9BXC0 6/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ YTHDC1 Q96MU7 1/20 0.36
▸ JAK1 P23458 3/20 0.35
▸ GRM1 Q13255 2/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL22091557 0.78 HCAR1 (0.34) ALDH1A1MEN1KMT2ACNOT7HCAR1
SCHEMBL8338180 0.72 ALDH1A1 (0.35) ALDH1A1ADORA3ADORA2BLMNAALB
SCHEMBL8354948 0.72 ADORA2A (0.33) ALDH1A1KDM4EADORA2BADORA2A
SCHEMBL10518132 0.72 ALDH1A1 (0.38) ALDH1A1KDM4EADORA2BADORA2A
SCHEMBL1992699 0.72 ALDH1A1 (0.43) ALDH1A1RAB9ATSHRADORA3ADORA2B
SCHEMBL5438533 0.70 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AADORA3ADORA2B
SCHEMBL30670576 0.70 ADRB1 (0.55) ADORA3ADORA2ALMNA
SCHEMBL12411008 0.68 MEN1 (0.45) ALDH1A1MEN1KMT2ATSHRADORA2B
SCHEMBL1993927 0.68 ADORA2A (0.41) ALDH1A1NPC1RAB9ATSHRADORA3
SCHEMBL14743922 0.65 ADORA3 (0.48) ALDH1A1MEN1KMT2AHCAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 — — 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 ALDH1A1 825/4885MEN1 4674/4885KMT2A 4422/4885

“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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