SCHEMBL20076176

SCHEMBL20076176

Cc1[nH]c2nc(C(C)C)nn2c(=O)c1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HAVCR2 Q8TDQ0 5/20 0.38
▸ KDM5B Q9UGL1 4/20 0.35
▸ KDM5A P29375 1/20 0.32

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
SCHEMBL20076027 0.85 KDM5B (0.36) HAVCR2KDM5BKDM5A
SCHEMBL20076023 0.83 KDM5B (0.34) KDM5BKDM5A
SCHEMBL21681599 0.83 KDM5B (0.34) HAVCR2KDM5BKDM5A
SCHEMBL20076011 0.83 KDM5B (0.34) KDM5BKDM5A
SCHEMBL20076175 0.79 KDM5B (0.33) KDM5BKDM5A
SCHEMBL20076026 0.78 TDP2 (0.36) KDM5B
SCHEMBL20076020 0.77 TDP2 (0.36) KDM5B
SCHEMBL20076005 0.75 KDM4E (0.32) —
SCHEMBL20076018 0.74 KDM5B (0.44) KDM5B
SCHEMBL20076174 0.74 KDM5B (0.39) KDM5B

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 HAVCR2 4388/4885KDM5B 2/4885KDM5A 1/4885

“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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