SCHEMBL5138780

SCHEMBL5138780

O=c1[nH]cnc2nnccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 3/20 0.53
KDM4B O94953 3/20 0.53
KDM5C P41229 3/20 0.53
KDM5B Q9UGL1 3/20 0.53
KDM4C Q9H3R0 1/20 0.53
KDM3A Q9Y4C1 1/20 0.53
PARP1 P09874 9/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PDPK1 O15530 1/20 0.48
CA12 O43570 1/20 0.48
ALOX15 P16050 1/20 0.48
CA9 Q16790 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CHEK1 O14757 2/20 0.43
PIM1 P11309 2/20 0.43
AKT1 P31749 1/20 0.43
FLT3 P36888 1/20 0.43
PIM3 Q86V86 1/20 0.43
RPS6KA3 P51812 1/20 0.43

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
SCHEMBL334691 0.74 PARP1 (0.55) KDM4AKDM4BKDM5CKDM5BKDM4C
SCHEMBL5139409 0.73 KDM4A (0.44) KDM4AKDM4BKDM5CKDM5BKDM4C
SCHEMBL496650 0.71
SCHEMBL31082754 0.71 KDM4A (0.42) KDM4AKDM4BKDM5CKDM5BKDM4C
SCHEMBL1886926 0.69 KDM4C (1.00) KDM4AKDM4BKDM5CKDM5BKDM4C
SCHEMBL6837342 0.68 PARP1 (0.46) KDM4AKDM4BKDM5CKDM5BKDM4C
SCHEMBL21808624 0.68 PARP1 (0.46) KDM4AKDM4BKDM5CKDM5BKDM4C
SCHEMBL19153800 0.68 PARP1 (0.50) KDM4AKDM4BKDM5CKDM5BKDM4C
SCHEMBL30979186 0.68 PARP1 (0.46) KDM4AKDM4BKDM5CKDM5BKDM4C
SCHEMBL26155897 0.68 ALDH1A1 (0.50) KDM4AKDM4BKDM5CKDM5BKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 EP disclosed
CN-110225911-B Oxadiazolone transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-04-05 CN disclosed
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 EP disclosed
WO-2020057546-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION 上海迪诺医药科技有限公司 2020-03-26 WO disclosed
WO-2015155306-A1 NEW TRPA1 ANTAGONISTS ALMIRALL, S.A. (ES) 2015-10-15 WO disclosed
US-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 US disclosed
EP-1513820-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 EP disclosed
US-20060111374-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-25 US disclosed
US-7038048-B2 3H-pyridopyrimidin-4-one compounds, compositions, and methods of their use CYTOKINETICS, INC. (US) 2006-05-02 US disclosed
EP-1513820-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-16 EP disclosed
US-20040116438-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2004-06-17 US disclosed
WO-2003103575-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-18 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 (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-20060111374-A1 Compounds, compositions, and methods ALPP, MKI67, PCNA KDM4A 1300/4885KDM4B 1258/4885KDM5C 509/4885

“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.