SCHEMBL17984959

SCHEMBL17984959

CCN(CC)CCCCNCc1cc(C=NCC(F)(F)C(F)(F)F)ccn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.34
▸ SIRT2 Q8IXJ6 5/20 0.34
▸ CCR4 P51679 3/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ KDM5C P41229 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ HSP90AA1 P07900 2/20 0.31
▸ HSP90AB1 P08238 2/20 0.31

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
SCHEMBL16305474 1.00 CHRM2 (0.34) CHRM2SIRT2CCR4S1PR1KDM5C
SCHEMBL16292636 0.85 CHRM2 (0.34) CHRM2SIRT2CCR4S1PR1KDM5C
SCHEMBL16303337 0.85 CHRM2 (0.34) CHRM2SIRT2CCR4S1PR1KDM5C
SCHEMBL16305527 0.82 S1PR1 (0.37) CHRM2SIRT2CCR4S1PR1KDM5C
SCHEMBL16292953 0.82 S1PR1 (0.37) CHRM2SIRT2CCR4S1PR1KDM5C
SCHEMBL16303330 0.82 CHRM2 (0.35) CHRM2SIRT2CCR4S1PR1KDM5C
SCHEMBL16292703 0.82 CHRM2 (0.35) CHRM2SIRT2CCR4S1PR1KDM5C
SCHEMBL16293258 0.81 CHRM2 (0.35) CHRM2SIRT2CCR4S1PR1KDM5C
SCHEMBL16303328 0.81 CHRM2 (0.39) CHRM2SIRT2CCR4S1PR1HSP90AA1
SCHEMBL16292962 0.81 CHRM2 (0.39) CHRM2SIRT2CCR4S1PR1HSP90AA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP claimed
US-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US claimed
EP-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
EP-3170811-A1 ETHYL PYRIDINE-4-CARBOXYLATE COMPOUND AS INHIBITOR OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-05-24 — — EP disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US 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-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A CHRM2 3004/4885SIRT2 592/4885CCR4 3598/4885

“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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