SCHEMBL17544508

SCHEMBL17544508

COC(=O)c1cc(C)nc(CN(Cc2ncc(CCC(N)=O)n2Cc2ccc(F)cc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRS3 P32247 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.34
▸ GRM2 Q14416 2/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ P2RX3 P56373 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ENPP2 Q13822 2/20 0.32
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ AGTR2 P50052 1/20 0.31
▸ GNRHR P30968 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL17545165 0.83 CYP11B1 (0.36) BRS3TLR7GRM2TP53POLB
SCHEMBL17544781 0.80 GRM2 (0.36) TLR7GRM2NR1H4TP53POLB
SCHEMBL17545037 0.78 GRM2 (0.35) GRM2NR1H4POLBP2RX3MAPT
SCHEMBL17544469 0.75 AGTR1 (0.41) BRS3TP53CYP11B1CYP11B2ENPP2
SCHEMBL17544610 0.73 HSP90B1 (0.47) —
SCHEMBL17544778 0.72 TP53 (0.39) BRS3TLR7GRM2TP53POLB
SCHEMBL17544839 0.71 HSP90B1 (0.43) GRM2TP53
SCHEMBL17544715 0.70 NR1H4 (0.31) NR1H4AGTR1AGTR2
SCHEMBL17544750 0.70 — —
SCHEMBL17544774 0.68 TP53 (0.40) TLR7GRM2TP53POLBP2RX3

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 9 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
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
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 BRS3 4064/4885TLR7 4031/4885GRM2 1490/4885

“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.

Send feedback