SCHEMBL2594124

SCHEMBL2594124

O=C(O)c1cccc2c1cnn2C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ PDE9A O76083 4/20 0.45
▸ SCN9A Q15858 1/20 0.44
▸ SCN10A Q9Y5Y9 1/20 0.44
▸ KDM5A P29375 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.43
▸ HCAR3 P49019 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CAMKK1 Q8N5S9 1/20 0.39
▸ CAMKK2 Q96RR4 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ OGFRL1 Q5TC84 1/20 0.38

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
SCHEMBL15997907 0.85 CYP11B2 (0.50) KDM4EPDE9ASCN9ASCN10AALDH1A1
SCHEMBL22499128 0.83 RXRA (0.47) KDM4EALDH1A1CAMKK1CAMKK2
SCHEMBL22499127 0.83 RXRA (0.47) KDM4EALDH1A1CAMKK1CAMKK2
SCHEMBL31179070 0.83 RXRA (0.47) KDM4EALDH1A1CAMKK1CAMKK2
SCHEMBL3465105 0.80 KDM4E (0.42) KDM4EPDE9ASCN9ASCN10AKDM5A
SCHEMBL2594585 0.79 OPRK1 (0.43) KDM4EPDE9AKDM5AKDM4CKDM5B
SCHEMBL2591384 0.79 PDE9A (0.43) KDM4EPDE9AKDM5AKDM4CKDM5B
SCHEMBL20162102 0.77 PDE9A (0.41) KDM4EPDE9AKDM5AKDM4CKDM5B
SCHEMBL19048628 0.76 PDE9A (0.47) PDE9ASCN9ASCN10APDE1CKMT2A
SCHEMBL4108821 0.76 PDE9A (0.43) PDE9ASCN9ASCN10APDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772484-B1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-06-28 — — EP disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 — — US disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 — — US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 — — US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 — — US disclosed
EP-2772484-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2014-09-03 — — EP disclosed
EP-2681216-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2014-01-08 — — EP disclosed
EP-2566328-A1 INDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 — — EP disclosed
WO-2012118812-A2 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2012-09-07 — — 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 (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-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND HSD11B1, HSD17B11, HSD17B1 KDM4E 3611/4885PDE9A 2315/4885SCN9A 359/4885

“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.

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