SCHEMBL14060468

SCHEMBL14060468

CC(C)CNC(=O)c1cc(Cl)c(C(=O)O)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.65
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 3/20 0.54
HSD17B10 Q99714 2/20 0.54
GAA P10253 2/20 0.54
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
MLYCD O95822 1/20 0.45
LMNA P02545 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 2/20 0.42
KCNH2 Q12809 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL14060028 0.81 HPGD (0.44) HPGDKDM4EKMT2AHSD17B10GAA
SCHEMBL2908793 0.80 HSD17B10 (0.78) HPGDKDM4EKMT2AHSD17B10GAA
SCHEMBL184399 0.80 HSD17B10 (0.66) HPGDKDM4EKMT2AHSD17B10GAA
SCHEMBL14059728 0.78 ALDH1A1 (0.43) HPGDKDM4EKMT2AGAAMLYCD
SCHEMBL14060244 0.77 MRGPRX4 (0.43) HPGDKDM4EGAAHTTALDH1A1
SCHEMBL14059693 0.77 HPGD (0.68) HPGDKDM4EKMT2AGAANPC1
SCHEMBL14060463 0.77 HPGD (0.63) HPGDKDM4EHSD17B10HTTALDH1A1
SCHEMBL14060151 0.75 ALDH1A1 (0.53) HPGDKDM4EKMT2AGAAHTT
SCHEMBL4197802 0.75 HPGD (0.75) HPGDKDM4EKMT2AHSD17B10GAA
SCHEMBL1004027 0.74 GAA (0.62) HPGDKDM4EKMT2AHSD17B10GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364466-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-06-14 US disclosed
EP-2714688-B1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2016-02-24 EP disclosed
US-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-11 US disclosed
US-8980911-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-03-17 US disclosed
US-20140155398-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-06-05 US disclosed
WO-2012160464-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-29 WO 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 (2 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-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K1, JAK2, AKT1 HPGD 608/4885KDM4E 1629/4885KMT2A 1098/4885
US-20140155398-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K1, JAK2, AKT1 HPGD 608/4885KDM4E 1629/4885KMT2A 1098/4885

“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.