SCHEMBL12909323

SCHEMBL12909323

COC(O)c1ccn(C)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
KMT2A Q03164 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
JMJD6 Q6NYC1 4/20 0.34
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SCN4A P35499 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
CYP19A1 P11511 1/20 0.31
MGLL Q99685 1/20 0.30

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
SCHEMBL507042 0.79 KMT2A (0.38) KEAP1KMT2AKDM4CKDM5BJMJD6
SCHEMBL20892184 0.79
SCHEMBL2629337 0.77
SCHEMBL26916681 0.77
SCHEMBL1481824 0.73 JMJD6 (0.39) KMT2AKDM4CKDM5BJMJD6NPC1
SCHEMBL31041232 0.72
SCHEMBL9386068 0.72 KDM4C (0.35) KEAP1KMT2AKDM4CKDM5BJMJD6
SCHEMBL12535839 0.72 KDM4C (0.38) KEAP1KMT2AKDM4CKDM5BJMJD6
SCHEMBL84431 0.72
SCHEMBL1086136 0.72

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-11590132-B2 Pyruvate kinase activators for use in treating blood disorders AGIOS PHARMACEUTICALS, INC. (US) 2023-02-28 US disclosed
US-11040036-B2 Pyruvate kinase activators for use in treating blood disorders AGIOS PHARMACEUTICALS, INC. (US) 2021-06-22 US disclosed
US-20210077490-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS AGIOS PHARMACEUTICALS, INC. 2021-03-18 US disclosed
US-20200207785-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS PHARMARESOURCES (SHANGHAI) CO., LTD. (CN) 2020-07-02 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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 (5 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KEAP1 702/4885KMT2A 278/4885KDM4C 835/4885
US-11590132-B2 Pyruvate kinase activators for use in treating blood disorders PDK1, PDK2, PDK3 KEAP1 692/4885KMT2A 560/4885KDM4C 1686/4885
US-20210077490-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS PDK1, PDK2, PDK3 KEAP1 692/4885KMT2A 560/4885KDM4C 1686/4885
US-11040036-B2 Pyruvate kinase activators for use in treating blood disorders PDK1, PDK2, PDK3 KEAP1 692/4885KMT2A 560/4885KDM4C 1686/4885
US-20200207785-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN TREATING BLOOD DISORDERS PDK1, PDK2, PDK3 KEAP1 692/4885KMT2A 606/4885KDM4C 1872/4885

“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.