SCHEMBL15053147

SCHEMBL15053147

[2H]C([2H])(c1c[nH]c2ncccc12)N1CCc2c(NC(=O)Nc3cccc(C)c3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RIPK1 Q13546 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.39
KDR P35968 5/20 0.38
PDGFRB P09619 3/20 0.38
GAA P10253 1/20 0.38
ELANE P08246 1/20 0.38
BRAF P15056 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
AKT1 P31749 1/20 0.37
PANK1 Q8TE04 1/20 0.36
PANK3 Q9H999 1/20 0.36
CCNB2 O95067 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
SCHEMBL15053542 0.94 KMT2A (0.40) KMT2AMEN1MAPTALDH1A1RIPK1
SCHEMBL3706319 0.92 RIPK1 (0.41) KMT2AMEN1MAPTALDH1A1RIPK1
SCHEMBL15053823 0.92 BRAF (0.46) SMN1; SMN2BRAFMTNR1A
SCHEMBL15053056 0.91 MAPT (0.41) KMT2AMEN1MAPTSMN1; SMN2BRAF
SCHEMBL15053233 0.90 KMT2A (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2KDR
SCHEMBL15053062 0.90 STING1 (0.45) KDRPDGFRBTRPV1DRD2DRD4
SCHEMBL15052932 0.90 KMT2A (0.41) KMT2AMEN1MAPTRIPK1BRAF
SCHEMBL15053593 0.90 FGFR1 (0.44) KMT2AMEN1MAPTALDH1A1RIPK1
SCHEMBL15053384 0.89 BRAF (0.41) MAPTSMN1; SMN2PKMKDRPDGFRB
SCHEMBL15052619 0.89 BRAF (0.40) KMT2ASMN1; SMN2PKMKDRPDGFRB

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 KMT2A 834/4885MEN1 3044/4885MAPT 1276/4885

“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.