SCHEMBL22208232

SCHEMBL22208232

COc1nc(-c2ccccc2)cc(-c2ccccn2)c1C#N

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 17/20 0.74
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
PIM1 P11309 1/20 0.47

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
SCHEMBL29442369 0.89 SQOR (0.81) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL22215650 0.86 SQOR (1.00) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL22208234 0.82 SQOR (1.00) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL29442283 0.82 SQOR (1.00) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL29442364 0.81 SQOR (0.80) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL29442358 0.81 SQOR (0.80) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL4073012 0.80 SQOR (0.78) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL22208219 0.80 SQOR (0.77) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL29442295 0.80 SQOR (0.77) SQORKDM4ENPC1ALDH1A1GAA
SCHEMBL22208329 0.80 SQOR (1.00) SQORKDM4EALDH1A1

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 5 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 claimed
WO-2020146636-A1 COMPOUNDS AND METHODS FOR TREATING OR PREVENTING HEART FAILURE DREXEL UNIVERSITY (US) 2020-07-16 WO claimed
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 SQOR 1/4885KDM4E 316/4885NPC1 3250/4885

“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.