SCHEMBL2591384

SCHEMBL2591384

O=C(O)c1cc(Cl)cc2c1cnn2C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 8/20 0.43
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
HCAR3 P49019 3/20 0.39
GRM1 Q13255 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NR3C1 P04150 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 1/20 0.36
CAMKK1 Q8N5S9 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
ENPP2 Q13822 1/20 0.35

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
SCHEMBL2591349 0.85 OPRK1 (0.46) PDE9AGRM1KMT2A
SCHEMBL2594585 0.83 OPRK1 (0.43) PDE9AKDM5AKDM4CKDM5BHCAR3
SCHEMBL30811759 0.83 RXRA (0.47) KDM4CKDM4E
SCHEMBL12498440 0.80 KDM5A (0.41) PDE9AKDM5AKDM4CKDM5BHCAR3
SCHEMBL2594124 0.79 KDM4E (0.48) PDE9AKDM5AKDM4CKDM5BHCAR3
SCHEMBL3465105 0.79 KDM4E (0.42) PDE9AKDM5AKDM4CKDM5BHCAR3
SCHEMBL20162102 0.78 PDE9A (0.41) PDE9AKDM5AKDM4CKDM5BHCAR3
SCHEMBL2587362 0.77 OPRK1 (0.39) PDE9AKDM5AKDM4CKDM5BHCAR3
SCHEMBL14716794 0.77 OPRK1 (0.39) PDE9AKDM5AKDM4CKDM5BHCAR3
SCHEMBL1407026 0.76 CNR2 (0.39) KDM5AKDM4CKDM5BHCAR3GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
US-9018382-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2015-04-28 US disclosed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP disclosed
EP-2566328-B1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2015-03-04 EP disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140350013-A1 INDAZOLES GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-8846935-B2 Indazoles GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
WO-2013067300-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
WO-2013067300-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
US-20130053383-A1 INDAZOLES GLAXOSMITHKLINE LLC 2013-02-28 US disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 WO disclosed
WO-2011140325-A1 INDAZOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 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-20130053383-A1 INDAZOLES IDH3A, CYP3A7, IDH3B PDE9A 3883/4885KDM5A 1713/4885KDM4C 2416/4885
US-20140350013-A1 INDAZOLES IDH3A, CYP3A7, IDH3B PDE9A 3883/4885KDM5A 1713/4885KDM4C 2416/4885

“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.