SCHEMBL15053387

SCHEMBL15053387

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39
TEK Q02763 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
DRD2 P14416 2/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
IGF1R P08069 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35

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
SCHEMBL3706455 0.92 HTR1A (0.46) HTR1AHTR2AHTR7HTR6KDM4E
SCHEMBL15052884 0.92 MEN1 (0.44) HTR1AHTR2AHTR7HTR6KDM4E
SCHEMBL15052540 0.92 HTR1A (0.42) HTR1AHTR2AHTR7HTR6KDM4E
SCHEMBL15053716 0.91 IGF1R (0.47) HTR1AHTR2AHTR7HTR6KDM4E
SCHEMBL15053597 0.91 HTR1A (0.45) HTR1AHTR2AHTR7HTR6KDM4E
SCHEMBL15053207 0.91 HTR1A (0.49) HTR1AHTR2AHTR7HTR6KDM4E
SCHEMBL15053476 0.90 KDR (0.39) KDM4EMAPTKDREPHB4TEK
SCHEMBL15053304 0.89 BRAF (0.41) HTR1AHTR2AHTR7HTR6KDR
SCHEMBL15052967 0.89 HTR2A (0.39) HTR1AHTR2AHTR7HTR6DRD4
SCHEMBL15053062 0.87 STING1 (0.45) HTR1AHTR2AHTR7KDREPHB4

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 HTR1A 3184/4885HTR2A 2861/4885HTR7 2927/4885

“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.