SCHEMBL16292953

SCHEMBL16292953

CCN(CC)CCCCNCc1cc(C=NCCO)ccn1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.37
▸ CHRM2 P08172 3/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.34
▸ HSP90AB1 P08238 2/20 0.34
▸ KDM5B Q9UGL1 5/20 0.32
▸ KDM5A P29375 4/20 0.32
▸ KDM5C P41229 4/20 0.32
▸ KDM4A O75164 2/20 0.32
▸ KDM6B O15054 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ SIRT2 Q8IXJ6 3/20 0.32
▸ CCR4 P51679 1/20 0.32
▸ KDM5D Q9BY66 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KIT P10721 2/20 0.32
▸ PAOX Q6QHF9 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FGFR3 P22607 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
SCHEMBL16305527 1.00 S1PR1 (0.37) S1PR1CHRM2CDK1HSP90AA1HSP90AB1
SCHEMBL16292703 0.95 CHRM2 (0.35) S1PR1CHRM2CDK1HSP90AA1HSP90AB1
SCHEMBL16303330 0.95 CHRM2 (0.35) S1PR1CHRM2CDK1HSP90AA1HSP90AB1
SCHEMBL16303328 0.88 CHRM2 (0.39) S1PR1CHRM2HSP90AA1HSP90AB1SIRT2
SCHEMBL16292962 0.88 CHRM2 (0.39) S1PR1CHRM2HSP90AA1HSP90AB1SIRT2
SCHEMBL16303337 0.86 CHRM2 (0.34) S1PR1CHRM2CDK1HSP90AA1HSP90AB1
SCHEMBL16292636 0.86 CHRM2 (0.34) S1PR1CHRM2CDK1HSP90AA1HSP90AB1
SCHEMBL16293258 0.85 CHRM2 (0.35) S1PR1CHRM2HSP90AA1HSP90AB1KDM5B
SCHEMBL16303331 0.85 CHRM2 (0.35) S1PR1CHRM2HSP90AA1HSP90AB1KDM5B
SCHEMBL16293029 0.84 CHRM2 (0.34) S1PR1CHRM2CDK1HSP90AA1HSP90AB1

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 8 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-9650339-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2017-05-16 — — US disclosed
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2016-08-18 — — US disclosed
US-9221801-B2 Inhibitors of histone demethylases EPITHERAPEUTICS APS (DK) 2015-12-29 — — US disclosed
US-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — 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 (2 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-20140371214-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A S1PR1 3369/4885CHRM2 3004/4885CDK1 1581/4885
US-20160237037-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM1A, KDM3A S1PR1 3369/4885CHRM2 3004/4885CDK1 1581/4885

“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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