SCHEMBL15053565

SCHEMBL15053565

[2H]C([2H])(c1ccnc2[nH]ccc12)N1CCc2c(NC(=O)Nc3cc(OC)ccc3OC)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.40
MAP3K7 O43318 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RGS12 O14924 1/20 0.39
TSHR P16473 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
BRAF P15056 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL15052959 0.92 KDM4E (0.41) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL3707580 0.92 MEN1 (0.44) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL15053476 0.92 KDR (0.39) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL15053889 0.92 BTK (0.39) MEN1KMT2AMAP3K7HTTMAPT
SCHEMBL15052734 0.92 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL15053061 0.92 BRAF (0.38) MEN1KMT2AMAP3K7CYP2D6CYP2C9
SCHEMBL15053297 0.91 BTK (0.43) MEN1KMT2AALDH1A1KDM4EGAA
Hydrochloric Acid SCHEMBL15052409 0.91 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL15052785 0.90 CYP2D6 (0.48) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL15053275 0.90 MAP3K7 (0.44) KMT2AMAP3K7MAPTSMN1; SMN2CYP2D6

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 834/4885ALDH1A1 4512/4885

“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.