SCHEMBL17544852

SCHEMBL17544852

CCc1cnc(C=O)n1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.43
▸ RGS4 P49798 3/20 0.43
▸ RGS8 P57771 3/20 0.43
▸ LMNA P02545 4/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP1A2 P05177 8/20 0.39
▸ CYP3A4 P08684 8/20 0.39
▸ CYP2C19 P33261 8/20 0.39
▸ TSHR P16473 7/20 0.39
▸ USP2 O75604 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP2C9 P11712 5/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ GLA P06280 1/20 0.39

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
SCHEMBL17544768 0.80 RGS4 (0.40) RGS4RGS8LMNARAB9ACYP1A2
SCHEMBL17544633 0.79 CYP11B1 (0.40) AGTR1LMNATHRBCYP1A2CYP3A4
SCHEMBL17544642 0.79 LMNA (0.41) RGS4RGS8LMNACYP1A2CYP3A4
SCHEMBL17545038 0.79 LMNA (0.41) RGS4RGS8LMNATHRBCYP1A2
SCHEMBL17544851 0.78 LMNA (0.40) AGTR1RGS4RGS8LMNACYP1A2
SCHEMBL17544853 0.78 LMNA (0.40) AGTR1RGS4RGS8LMNACYP1A2
SCHEMBL17544587 0.77 LMNA (0.40) RGS4RGS8LMNATHRBCYP1A2
SCHEMBL17544516 0.77 RGS4 (0.38) AGTR1RGS4RGS8LMNARAB9A
SCHEMBL17545035 0.74 PDE1A (0.40) RGS4RGS8LMNACYP1A2CYP3A4
SCHEMBL17544745 0.72 CYP1A2 (0.41) LMNACYP1A2CYP3A4CYP2C19TSHR

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 AGTR1 2794/4885RGS4 3041/4885RGS8 1061/4885

“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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