SCHEMBL22208317

SCHEMBL22208317

N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.67
LMNA P02545 3/20 0.67
ADORA2A P29274 2/20 0.60
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MAPK1 P28482 4/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
ADORA1 P30542 1/20 0.52
NPSR1 Q6W5P4 3/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
KHK P50053 1/20 0.51
HTT P42858 2/20 0.51
SQOR Q9Y6N5 1/20 0.50
ATM Q13315 1/20 0.47
CYP1A2 P05177 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
SCHEMBL29442404 0.86 ADORA2A (0.59) KDM4ELMNAADORA2ANPC1RAB9A
SCHEMBL22215647 0.86 ADORA2A (0.59) KDM4ELMNAADORA2ANPC1RAB9A
SCHEMBL20187256 0.83 ADORA2A (0.62) KDM4ELMNAADORA2ANPC1RAB9A
SCHEMBL6252361 0.80 ADORA2A (0.60) KDM4ELMNAADORA2ANPC1RAB9A
SCHEMBL17344004 0.78 KDM4E (0.54) KDM4ELMNAADORA2ANPC1RAB9A
SCHEMBL11490899 0.77 KDM4E (0.57) KDM4ELMNAADORA2ANPC1RAB9A
SCHEMBL11354056 0.77 KDM4E (0.54) KDM4ELMNAADORA2ANPC1RAB9A
SCHEMBL28288457 0.76 PIK3CA (0.55) KDM4EADORA2AMTOR
SCHEMBL6447580 0.75 KDM4E (0.75) KDM4ELMNAADORA2ANPC1RAB9A
SCHEMBL30389776 0.75 PIK3CD (0.59) KDM4ELMNANPC1RAB9AMAPK1

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
US-20220096450-A1 Compounds and Methods for Treating or Preventing Heart Failure DREXEL UNIVERSITY 2022-03-31 US 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 KDM4E 316/4885LMNA 2504/4885ADORA2A 2429/4885

“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.