SCHEMBL22208277

SCHEMBL22208277

N#Cc1c(O)nc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 10/20 0.66
▸ ADORA2A P29274 8/20 0.66
▸ HSD17B10 Q99714 1/20 0.66
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ SQOR Q9Y6N5 1/20 0.56
▸ HPGD P15428 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ POLB P06746 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.50
▸ ADORA2B P29275 1/20 0.50

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
SCHEMBL20041347 0.87 ADORA1 (0.77) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL31591781 0.87 KMT2A (0.71) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL23852855 0.87 KMT2A (0.71) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL32688280 0.86 ADORA1 (0.58) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL17131839 0.81 ADORA1 (0.53) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL4421556 0.80 NPC1 (0.49) ADORA1ADORA2AHSD17B10POLBALDH1A1
SCHEMBL19665238 0.80 ADORA1 (0.69) ADORA1ADORA2AHSD17B10ADORA2B
SCHEMBL22115385 0.79 ADORA1 (0.66) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL19305511 0.79 KMT2A (0.85) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL19885521 0.78 HPGD (0.74) ADORA1ADORA2AHSD17B10KMT2AMEN1

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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 — — US disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — WO disclosed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 — — 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-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure SQOR, QSOX1, KEAP1 ADORA1 1478/4885ADORA2A 2429/4885HSD17B10 562/4885

“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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