SCHEMBL22004356

SCHEMBL22004356

Cn1c(-c2cccnn2)cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
HTR2C P28335 5/20 0.50
CYP11B2 P19099 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
HTR2A P28223 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TERT O14746 1/20 0.43
APP P05067 3/20 0.40
HTR2B P41595 1/20 0.40
PDE10A Q9Y233 1/20 0.40
DAO P14920 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
SCHEMBL22005098 0.82 ACLY (0.50) KMT2AHTR2CCYP11B2MAPTKDM4E
SCHEMBL21534086 0.80 KMT2A (0.56) KMT2AHTR2CCYP11B2ADRA2AMAPT
SCHEMBL10103705 0.76 KMT2A (0.76) KMT2AADRA2AMAPTKDM4EMEN1
SCHEMBL12469406 0.74 KMT2A (0.53) KMT2ACYP11B2ADRA2AMAPTKDM4E
SCHEMBL17339081 0.72 KMT2A (0.50) KMT2ACYP11B2ADRA2AMAPTKDM4E
SCHEMBL29533984 0.72 KMT2A (0.50) KMT2ACYP11B2ADRA2AMAPTKDM4E
SCHEMBL22004359 0.72 HTR2C (0.42) HTR2CHTR2AHTR2BPDE10A
SCHEMBL22005053 0.71 KMT2A (0.62) KMT2ACYP11B2ADRA2AMAPTKDM4E
SCHEMBL22005153 0.71 KMT2A (0.53) KMT2ACYP11B2ADRA2AMAPTKDM4E
SCHEMBL7808056 0.71 KMT2A (0.67) KMT2ACYP11B2ADRA2AMAPTKDM4E

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 1976/4885HTR2C 4884/4885CYP11B2 2971/4885

“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.