SCHEMBL15053563

SCHEMBL15053563

[2H]C([2H])([2H])Oc1ccccc1NC(=O)Nc1cccc2c1ccn2C([2H])([2H])c1c[nH]c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
MTNR1A P48039 1/20 0.37
AHR P35869 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR4 P22455 1/20 0.36

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
SCHEMBL15053977 0.95 MAPT (0.44) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL15054316 0.92 P2RY1 (0.37) MAPTKDM4ELMNAALDH1A1HTR1A
SCHEMBL15053264 0.91 PKM (0.42) MAPTKDM4ELMNAALDH1A1MTNR1A
SCHEMBL15053324 0.91 MEN1 (0.41) MAPTKDM4ELMNAALDH1A1GAA
SCHEMBL15053122 0.91 IGF1R (0.44) MAPTKDM4EKMT2AMEN1THRB
SCHEMBL15054186 0.91 KDM4E (0.39) MAPTKDM4ELMNAALDH1A1MTNR1A
SCHEMBL15053488 0.89 FGFR1 (0.41) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL15052945 0.89 KDR (0.40) HTR2AHTR7HTR6
SCHEMBL15053584 0.89 MAPT (0.42) MAPTKDM4EALDH1A1MTNR1AKMT2A
SCHEMBL15053075 0.88 MAPT (0.39) MAPTKDM4ELMNAALDH1A1GAA

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 MAPT 1276/4885KDM4E 900/4885LMNA 2436/4885

“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.