SCHEMBL17544963

SCHEMBL17544963

COC(=O)c1cc(C)nc(CNCc2nnc(C(C)O)n2Cc2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 4/20 0.41
▸ TP53 P04637 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM5A P29375 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34
▸ MMP13 P45452 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
SCHEMBL17544553 0.91 MMP13 (0.40) TP53MAPTCES2MMP13
SCHEMBL17544481 0.88 P2RX3 (0.39) P2RX3TP53MAPTPOLBLMNA
SCHEMBL17544934 0.88 TP53 (0.41) P2RX3TP53MAPTPOLBLMNA
SCHEMBL17544533 0.87 TP53 (0.40) P2RX3TP53MAPTPOLBLMNA
SCHEMBL17544502 0.85 ALDH1A1 (0.44) P2RX3TP53MAPTPOLBLMNA
SCHEMBL17683831 0.85 MMP13 (0.40) TP53CES2MMP13
SCHEMBL19522732 0.84 POLB (0.34) P2RX3TP53MAPTPOLBCES2
SCHEMBL17544838 0.82 AGTR1 (0.36) P2RX3TP53MAPTENPP2MMP13
SCHEMBL17544636 0.80 TP53 (0.40) P2RX3TP53MAPTPOLBLMNA
SCHEMBL17544778 0.80 TP53 (0.39) P2RX3TP53MAPTPOLBLMNA

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 P2RX3 4449/4885TP53 190/4885MAPT 4137/4885

“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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