SCHEMBL17545002

SCHEMBL17545002

CCc1cnc(CNCc2cc(CO)cc(C)n2)n1Cc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.40
▸ POLB P06746 2/20 0.38
▸ ABL1 P00519 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CES2 O00748 1/20 0.35
▸ TLR7 Q9NYK1 2/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ PHGDH O43175 1/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MAPT P10636 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
SCHEMBL19522734 0.90 THRB (0.36) THRBPOLBRAB9ATP53CES2
SCHEMBL17549892 0.87 AGTR1 (0.44) TP53CES2AGTR1
SCHEMBL17544778 0.85 TP53 (0.39) POLBRAB9ATP53CES2TLR7
SCHEMBL19522724 0.83 THRB (0.36) THRBPOLBRAB9ATP53AGTR1
SCHEMBL17544407 0.83 AGTR1 (0.44) THRBTP53AGTR1
SCHEMBL17549942 0.81 TP53 (0.39) THRBPOLBTP53TLR7AGTR1
SCHEMBL17670495 0.77 AGTR1 (0.41) TP53CES2AGTR1MEN1KMT2A
SCHEMBL17670473 0.77 AGTR1 (0.41) TP53AGTR1MAPT
SCHEMBL17670339 0.76 AGTR1 (0.42) AGTR1CYP2C19MEN1KMT2AUSP2
SCHEMBL17544781 0.76 GRM2 (0.36) THRBPOLBTP53TLR7AGTR1

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 THRB 2993/4885POLB 637/4885ABL1 1323/4885

“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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