SCHEMBL17145050

SCHEMBL17145050

O=C(O)c1ccnc(CNCc2cn(Cc3ccc(F)cc3)c3ncccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ KDM5B Q9UGL1 4/20 0.45
▸ KDM5A P29375 3/20 0.45
▸ KDM4C Q9H3R0 3/20 0.45
▸ KDM4A O75164 2/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ KDM4B O94953 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MMP13 P45452 2/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ RXFP1 Q9HBX9 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
SCHEMBL17145114 0.85 KDM5B (0.46) KDM5BKDM5AKDM4CKDM4AKMT2A
SCHEMBL5557953 0.74 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5559147 0.70 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5557916 0.70 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL9278006 0.69 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL28375908 0.69 KDM4C (0.49) KDM5BKDM5AKDM4CKDM4AKDM5C
SCHEMBL16750295 0.69 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DTP53
SCHEMBL6223621 0.69 TP53 (0.45) PDE4APDE4BPDE4CPDE4DKDM5B
SCHEMBL6706747 0.68 ALDH1A1 (0.64) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL9278001 0.68 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US claimed
EP-3126345-A1 INHIBITORS OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-02-08 — — EP claimed
WO-2015153498-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS, APS (DK) 2015-10-08 — — WO claimed
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — 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 (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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A PDE4A 2570/4885PDE4B 2887/4885PDE4C 2960/4885

“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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