SCHEMBL17545015

SCHEMBL17545015

COC(=O)c1cc(CNCc2nnc(C)n2CCCc2ccccc2)nc(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.40
▸ PLA2G2A P14555 2/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ GLS O94925 1/20 0.32
▸ TLR8 Q9NR97 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
SCHEMBL17549909 0.93 EHMT2 (0.41) EHMT2PLA2G2ATLR7CES1MAPK8
SCHEMBL17544666 0.87 EHMT2 (0.44) EHMT2PLA2G2ATLR7POLBCES1
SCHEMBL17544618 0.86 EHMT2 (0.36) EHMT2PLA2G2ACACNA2D1
SCHEMBL17544743 0.86 CNR2 (0.32) —
SCHEMBL17544576 0.82 TP53 (0.37) MAPK1POLBLMNA
SCHEMBL17544728 0.80 EHMT2 (0.44) EHMT2PLA2G2ATLR7CES1MAPK8
SCHEMBL17545158 0.79 EHMT2 (0.40) EHMT2POLBUSP2GAAL3MBTL1
SCHEMBL17544863 0.78 HDAC1 (0.34) EHMT2PLA2G2APOLBUSP2CACNA2D1
SCHEMBL17544550 0.75 PDE6D (0.38) TLR7MAPK1POLBLMNA
SCHEMBL17544772 0.73 EHMT2 (0.38) EHMT2TLR7CES1PIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
EP-3186238-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES GILEAD SCIENCES, INC. (US) 2017-07-05 — — EP disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — WO disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 EHMT2 31/4885PLA2G2A 2831/4885TLR7 4031/4885

“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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