SCHEMBL17544934

SCHEMBL17544934

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ P2RX3 P56373 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ DCTPP1 Q9H773 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PDE6D O43924 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MMP13 P45452 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TLR7 Q9NYK1 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
SCHEMBL17544636 0.91 TP53 (0.40) TP53MAPTP2RX3POLBGAA
SCHEMBL17544533 0.91 TP53 (0.40) TP53MAPTP2RX3POLBGAA
SCHEMBL17544846 0.90 MMP13 (0.42) TP53MAPTPOLBGAACES2
SCHEMBL17544502 0.89 ALDH1A1 (0.44) TP53MAPTP2RX3POLBGAA
SCHEMBL17544963 0.88 P2RX3 (0.41) TP53MAPTP2RX3POLBGAA
SCHEMBL17544576 0.86 TP53 (0.37) TP53MAPTP2RX3POLBDCTPP1
SCHEMBL17544778 0.83 TP53 (0.39) TP53MAPTP2RX3POLBGAA
SCHEMBL17680457 0.83 MMP13 (0.40) TP53MAPTCES2NPSR1LMNA
SCHEMBL17544774 0.83 TP53 (0.40) TP53MAPTP2RX3POLBGAA
SCHEMBL17544465 0.82 TP53 (0.39) TP53MAPTP2RX3POLBGAA

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

“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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