SCHEMBL15052884

SCHEMBL15052884

[2H]C([2H])(c1c[nH]c2ncccc12)N1CCc2c(NC(=O)Nc3cc(OC)ccc3OC)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
FGFR1 P11362 1/20 0.42
FGFR4 P22455 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 1/20 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
SCHEMBL15052540 0.92 HTR1A (0.42) MEN1KMT2AKDM4EALDH1A1HTR1A
SCHEMBL3697600 0.92 HTR1A (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL15053716 0.92 IGF1R (0.47) MEN1KMT2AKDM4EALDH1A1HTR1A
SCHEMBL15053552 0.92 FGFR1 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL15053597 0.92 HTR1A (0.45) MEN1KMT2AKDM4EALDH1A1FGFR1
SCHEMBL15053387 0.92 HTR1A (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL15053207 0.91 HTR1A (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL15053593 0.90 FGFR1 (0.44) MEN1KMT2AALDH1A1FGFR1FGFR4
SCHEMBL15053860 0.90 SMN1; SMN2 (0.46) KMT2AKDM4EFGFR1FGFR4HTR1A
SCHEMBL15053304 0.90 BRAF (0.41) HTR1AHTR2AHTR7HTR6

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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US claimed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 MEN1 3044/4885KMT2A 834/4885KDM4E 900/4885

“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.