SCHEMBL20076175

SCHEMBL20076175

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 6/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KDM5A P29375 1/20 0.30
▸ PDE2A O00408 1/20 0.30

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
SCHEMBL17131846 0.82 ALDH1A1 (0.35) KDM5BALDH1A1KMT2AUSP2TSHR
SCHEMBL20076027 0.80 KDM5B (0.36) KDM5BKDM5A
SCHEMBL20076176 0.79 HAVCR2 (0.38) KDM5BKDM5A
SCHEMBL20076023 0.78 KDM5B (0.34) KDM5BKDM5A
SCHEMBL21681599 0.78 KDM5B (0.34) KDM5BKDM5A
SCHEMBL20076011 0.78 KDM5B (0.34) KDM5BKDM5A
SCHEMBL20076169 0.77 KDM5B (0.47) KDM5BKDM5APDE2A
SCHEMBL17482119 0.77 ALKBH3 (0.38) PDE2A
SCHEMBL20075838 0.77 ALDH1A1 (0.42) KDM5BALDH1A1KMT2AUSP2TSHR
SCHEMBL20076026 0.73 TDP2 (0.36) 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 KDM5B 2/4885ALDH1A1 1410/4885KMT2A 24/4885

“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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