SCHEMBL20076031

SCHEMBL20076031

CCCCc1cc(=O)n2nc(C)nc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK10 P53779 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPY5R Q15761 2/20 0.39
GPR84 Q9NQS5 11/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
KMT2A Q03164 1/20 0.37
DAO P14920 1/20 0.36

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
SCHEMBL21681604 0.91 KDM4E (0.49) KDM4EALDH1A1HPGDRAB9AMAPK10
SCHEMBL20075837 0.85 KDM4E (0.36) KDM4EALDH1A1HPGDRAB9AMAPK10
SCHEMBL12290303 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDRAB9AMAPK10
SCHEMBL20075885 0.78 HAVCR2 (0.32) KDM4EALDH1A1HPGDRAB9AMAPK10
SCHEMBL9143661 0.78 KDM4E (0.38) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL20075890 0.76 NPY5R (0.38) KDM4EALDH1A1HPGDRAB9AMAPK10
SCHEMBL26662250 0.75 KDM4E (0.48) KDM4EALDH1A1HPGDRAB9AMAPK10
SCHEMBL20588719 0.75 KDM4E (0.44) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL20075842 0.74 NPC1 (0.50) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30217893 0.73 KDM4E (0.46) KDM4EALDH1A1HPGDRAB9AMAPK10

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 11/4885ALDH1A1 1410/4885HPGD 3965/4885

“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.