SCHEMBL17544666

SCHEMBL17544666

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 2/20 0.44
▸ TLR7 Q9NYK1 1/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ PLA2G2A P14555 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CES1 P23141 2/20 0.35
▸ EHMT1 Q9H9B1 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ USP2 O75604 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL17544728 0.92 EHMT2 (0.44) EHMT2TLR7MAPK8PLA2G2ACYP4A11
SCHEMBL17545158 0.92 EHMT2 (0.40) EHMT2KDM4EEHMT1KLKB1POLB
SCHEMBL17545015 0.87 EHMT2 (0.40) EHMT2TLR7MAPK8PLA2G2AKDM4E
SCHEMBL17544811 0.83 EHMT2 (0.41) EHMT2EHMT1KLKB1USP2LMNA
SCHEMBL17670405 0.81 EHMT2 (0.39) EHMT2EHMT1HDAC1HDAC8
SCHEMBL17544636 0.80 TP53 (0.40) TLR7POLBGAALMNA
SCHEMBL17549909 0.79 EHMT2 (0.41) EHMT2TLR7MAPK8PLA2G2AKDM4E
SCHEMBL17670431 0.78 USP2 (0.39) EHMT2KDM4EEHMT1POLBL3MBTL1
SCHEMBL17683750 0.78 EHMT2 (0.39) EHMT2EHMT1KLKB1
SCHEMBL17544922 0.76 EHMT2 (0.40) EHMT2TLR7CYP4A11CYP4F2KDM4E

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 31/4885TLR7 4031/4885MAPK8 1509/4885

“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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