SCHEMBL22005153

SCHEMBL22005153

Cn1c(-c2c[nH]cn2)cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ADRA2A P08913 1/20 0.49
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
KDM5B Q9UGL1 1/20 0.43
CYP11B2 P19099 1/20 0.43
TERT O14746 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APP P05067 4/20 0.40
CDC7 O00311 1/20 0.40
DAO P14920 1/20 0.39
MCL1 Q07820 1/20 0.39
TRPV3 Q8NET8 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
SCHEMBL21534086 0.77 KMT2A (0.56) KMT2AADRA2AKDM4EMAPTALDH1A1
SCHEMBL10103705 0.76 KMT2A (0.76) KMT2AADRA2AKDM4EMAPTALDH1A1
SCHEMBL5184106 0.73 KMT2A (0.51) KMT2AADRA2AKDM4EMAPTALDH1A1
SCHEMBL17339081 0.72 KMT2A (0.50) KMT2AADRA2AKDM4EMAPTALDH1A1
SCHEMBL22004370 0.72
SCHEMBL29533984 0.72 KMT2A (0.50) KMT2AADRA2AKDM4EMAPTALDH1A1
SCHEMBL22004356 0.71 KMT2A (0.53) KMT2AADRA2AKDM4EMAPTALDH1A1
SCHEMBL12469406 0.71 KMT2A (0.53) KMT2AADRA2AKDM4EMAPTALDH1A1
SCHEMBL4247284 0.70 KMT2A (0.51) KMT2AADRA2AKDM4EMAPTALDH1A1
SCHEMBL30543445 0.70 KMT2A (0.51) KMT2AADRA2AKDM4EMAPTALDH1A1

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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG KMT2A 1976/4885ADRA2A 4635/4885KDM4E 1181/4885

“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.