SCHEMBL20076008

SCHEMBL20076008

Cc1nc2[nH]c(-c3ccccn3)cc(=O)n2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPY5R Q15761 1/20 0.42
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
MAT2A P31153 1/20 0.39
BTK Q06187 1/20 0.39
LDHA P00338 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
KDM5B Q9UGL1 1/20 0.39

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) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL20076012 0.78 KDM5B (0.39) KDM4EALDH1A1KDM5BHAVCR2HSD17B10
SCHEMBL3297258 0.77 PARP1 (0.47) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL20074193 0.77 LMNA (0.46) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL20076038 0.76 ADORA2A (0.47) ALDH1A1HPGDNPY5RLDHAADORA3
SCHEMBL20076009 0.73 ALDH1A1 (0.45) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL20076032 0.73 NPC1 (0.45) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL20076034 0.73 MEN1 (0.48) NPC1RAB9ALDHAADORA3KDM5B
SCHEMBL30938483 0.72 NPC1 (0.41) KDM4ENPC1RAB9ALMNAALDH1A1
SCHEMBL20588719 0.72 KDM4E (0.44) KDM4ENPC1RAB9ALMNAALDH1A1

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 KDM4E 11/4885NPC1 4054/4885RAB9A 3452/4885

“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.