SCHEMBL17544747

SCHEMBL17544747

CC(C)(C)OC(=O)NCc1nnc(S)n1Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.45
GNRHR P30968 1/20 0.45
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
ENPP2 Q13822 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NAMPT P43490 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL17549944 0.85 ALDH1A1 (0.51) GRM2GNRHRPOLBMAPK1ATM
SCHEMBL17544949 0.82 TP53 (0.40) POLBENPP2LMNATP53MAPT
SCHEMBL1444314 0.76 HPGD (0.59) GRM2CTSSCTSKGAALMNA
Hydrochloric Acid SCHEMBL27698235 0.75 HPGD (0.58) GRM2CTSSCTSKGAALMNA
SCHEMBL17875003 0.74 KDM4E (0.56) POLBMAPK1ATMGAALMNA
Boric Acid SCHEMBL27878882 0.73 HPGD (0.55) GRM2CTSSCTSKGAALMNA
SCHEMBL185351 0.73 HPGD (0.55) GRM2ATMCTSSCTSKGAA
SCHEMBL18664525 0.73 GRM2 (0.57) GRM2CTSSCTSKGAALMNA
SCHEMBL6129051 0.72 GFER (0.47) POLBMAPK1ATMCTSSCTSK
SCHEMBL24974218 0.71 HDAC10 (0.44) GRM2GNRHRPOLBCTSSCTSK

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 GRM2 1490/4885GNRHR 2787/4885POLB 637/4885

“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.