SCHEMBL20076005

SCHEMBL20076005

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

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 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
SCHEMBL20076176 0.75 HAVCR2 (0.38) —
SCHEMBL20076026 0.69 TDP2 (0.36) —
SCHEMBL20076170 0.64 KDM5B (0.46) KDM4E
SCHEMBL20076171 0.64 ADORA2A (0.56) KDM4E
SCHEMBL16047451 0.59 KDM4D (0.44) KDM4E
SCHEMBL9770259 0.56 ALDH1A1 (0.62) KDM4E
SCHEMBL20075836 0.56 ALDH1A1 (0.47) KDM4E
SCHEMBL20076168 0.55 HAVCR2 (0.36) KDM4E
SCHEMBL20076019 0.54 ALDH1A1 (0.45) KDM4E
SCHEMBL30921560 0.54 CASP1 (0.41) —

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 11/4885

“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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