SCHEMBL15053274

SCHEMBL15053274

[2H]C([2H])(c1c[nH]c2ncccc12)n1ccc2c(NC(=O)Nc3cc(C)ccc3OC)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 6/20 0.42
TP53 P04637 3/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
EPHB4 P54760 1/20 0.41
ALDH1A1 P00352 2/20 0.41
IGF1R P08069 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL15053264 0.95 PKM (0.42) PKMKDM4EMAPTTP53THRB
SCHEMBL15053897 0.92 MEN1 (0.48) KDM4EMAPTTP53KMT2AMEN1
SCHEMBL3698624 0.92 PKM (0.47) PKMKDM4EMAPTTP53THRB
SCHEMBL15053425 0.91 MAPT (0.40) KDM4EMAPTTHRBKMT2AMEN1
SCHEMBL15052907 0.91 IGF1R (0.49) KDM4EMAPTTP53THRBKMT2A
SCHEMBL15054209 0.91 MAPT (0.43) PKMKDM4EMAPTKMT2AMEN1
SCHEMBL15053977 0.91 MAPT (0.44) KDM4EMAPTKMT2AALDH1A1LMNA
SCHEMBL15053798 0.89 KDR (0.43) EPHB4IGF1R
SCHEMBL15053596 0.89 PKM (0.43) PKMKDM4EMAPTTP53THRB
SCHEMBL15053044 0.89 BRAF (0.43) PKMMAPTKMT2AMEN1RAB9A

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 PKM 378/4885KDM4E 900/4885MAPT 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.