SCHEMBL21605922

SCHEMBL21605922

Fc1ccc(NC[C@H]2CCCNC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
CHEK1 O14757 3/20 0.43
ACP1 P24666 2/20 0.42
BRD4 O60885 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
SYK P43405 2/20 0.41
AURKB Q96GD4 2/20 0.41
KCNH2 Q12809 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
CDK4 P11802 1/20 0.40
PIK3CA P42336 1/20 0.39
CCNT1 O60563 1/20 0.39

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
SCHEMBL21605932 1.00 KDM1A (0.44) KDM1ACHEK1ACP1BRD4ATAD2
SCHEMBL1413601 0.90 BRD3 (0.43) KDM1ACHEK1BRD4ATAD2CDK4
SCHEMBL530604 0.84 CHEK1 (0.44) KDM1ACHEK1ACP1
SCHEMBL8178820 0.84 KMT2A (0.49) KDM1ACHEK1ACP1BRD4ATAD2
SCHEMBL13769159 0.81 KDM1A (0.47) KDM1ACHEK1BRD4ATAD2SYK
SCHEMBL3053522 0.80 SCN9A (0.47) KDM1ACHEK1
SCHEMBL22414312 0.80 RAB9A (0.44)
SCHEMBL1565671 0.80 RAB9A (0.44)
SCHEMBL20240266 0.77 LTA4H (0.48) CHEK1
SCHEMBL25330831 0.77 JAK2 (0.45) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300943-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
WO-2019243526-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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-20210300943-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN KDM1A 1144/4885CHEK1 289/4885ACP1 1958/4885

“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.