SCHEMBL20076013

SCHEMBL20076013

Cc1nc2[nH]c(-c3ccoc3)cc(=O)n2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
ADORA1 P30542 3/20 0.37
ADORA3 P0DMS8 1/20 0.37
PDE10A Q9Y233 2/20 0.36
PDE6D O43924 1/20 0.36
PDE5A O76074 1/20 0.36
PDE6A P16499 1/20 0.36
PDE6G P18545 1/20 0.36
PDE6B P35913 1/20 0.36
PDE6C P51160 1/20 0.36
PDE6H Q13956 1/20 0.36
TMIGD3 P0DMS9 2/20 0.36
PTGER2 P43116 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
PKM P14618 2/20 0.33
IMPDH2 P12268 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL20075849 0.81 ALDH1A1 (0.51) ADORA1ALDH1A1GAAPKMKDM4E
SCHEMBL20076009 0.78 ALDH1A1 (0.45) ADORA1ALDH1A1GAAPKMKDM4E
SCHEMBL20076032 0.78 NPC1 (0.45) ALDH1A1KDM4ENPC1LMNATP53
SCHEMBL15660543 0.76 KDM4E (0.46) ADORA1ADORA3ALDH1A1GAAPKM
SCHEMBL20076015 0.76 ADORA2A (0.45) KDM5BADORA1ADORA3ALDH1A1PKM
SCHEMBL20074199 0.76 KDM5B (0.39) PIK3C3KDM5BADORA1ADORA3TMIGD3
SCHEMBL20076034 0.75 MEN1 (0.48) KDM5BADORA3GAANPC1RAB9A
SCHEMBL17106451 0.75 TSHR (0.41) PDE10AALDH1A1PKMKDM4ENPC1
SCHEMBL13117131 0.73 PIK3C3 (0.38) PIK3C3KDM5BADORA1ADORA3TMIGD3
SCHEMBL20076012 0.73 KDM5B (0.39) KDM5BADORA1ALDH1A1KDM4EHSD17B10

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-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US claimed
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
US-20200048259-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 US disclosed
WO-2018071282-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-20200048259-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C PIK3C3 2093/4885KDM5B 2/4885ADORA1 3457/4885

“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.