SCHEMBL3787063

SCHEMBL3787063

CNC(=O)c1c(-c2ccccc2)cnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE4B Q07343 1/20 0.45
HPGD P15428 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PDE10A Q9Y233 2/20 0.42
TSHR P16473 1/20 0.42
NUDT1 P36639 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
DHODH Q02127 2/20 0.40

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
SCHEMBL4347338 0.83 DHODH (0.53) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL14406051 0.80 NUDT1 (0.43) MEN1KMT2ABAZ2BALDH1A1HTT
SCHEMBL3782566 0.79 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL15343068 0.79 NUDT1 (0.51) MEN1KMT2ABAZ2BALDH1A1HTT
SCHEMBL7044638 0.77 PDE10A (0.51) MEN1KMT2AHTTNPSR1MAPT
SCHEMBL3775453 0.77 TACR1 (0.42) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL18745 0.74 PDE10A (0.51) MEN1KMT2AALDH1A1HPGDCYP2D6
SCHEMBL3781289 0.72 HPGD (0.58) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL3775455 0.72 LMNA (0.49) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL6121572 0.72 GABRA1 (0.69) BAZ2BALDH1A1HTTNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873704-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2016-11-17 US disclosed
US-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 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 (2 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-20100331306-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 MEN1 1596/4885KMT2A 845/4885BAZ2B 633/4885
US-20160333017-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 MEN1 1636/4885KMT2A 829/4885BAZ2B 608/4885

“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.