SCHEMBL17544778

SCHEMBL17544778

CCc1cnc(CNCc2cc(C(=O)OC)cc(C)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ P2RX3 P56373 2/20 0.38
▸ AGTR1 P30556 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BRS3 P32247 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL17549942 0.91 TP53 (0.39) TP53MAPTTLR7POLBP2RX3
SCHEMBL17549892 0.91 AGTR1 (0.44) TP53P2RX3AGTR1CES2HDAC3
SCHEMBL17545165 0.89 CYP11B1 (0.36) TP53MAPTTLR7POLBP2RX3
SCHEMBL17544774 0.87 TP53 (0.40) TP53MAPTTLR7POLBP2RX3
SCHEMBL17544533 0.86 TP53 (0.40) TP53MAPTTLR7POLBP2RX3
SCHEMBL17544465 0.86 TP53 (0.39) TP53MAPTTLR7POLBP2RX3
SCHEMBL17544718 0.85 TP53 (0.39) TP53MAPTTLR7POLBP2RX3
SCHEMBL17544719 0.85 TP53 (0.39) TP53MAPTTLR7POLBP2RX3
SCHEMBL17545002 0.85 THRB (0.40) TP53MAPTTLR7POLBAGTR1
SCHEMBL19522734 0.85 THRB (0.36) TP53MAPTPOLBAGTR1LMNA

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 TP53 190/4885MAPT 4137/4885TLR7 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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