SCHEMBL15540529

SCHEMBL15540529

[C]#Cc1ccc(C(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PTGS1 P23219 1/20 0.35
HPGD P15428 1/20 0.35
DGAT1 O75907 1/20 0.35
KIF11 P52732 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
APAF1 O14727 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RECQL P46063 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2553743 0.79 DGAT1 (0.50) KMT2ASMN1; SMN2NPSR1KDM4EDGAT1
SCHEMBL30841758 0.79 DGAT1 (0.50) KMT2ASMN1; SMN2NPSR1KDM4EDGAT1
SCHEMBL15226708 0.79 KMT2A (0.47) KMT2ASMN1; SMN2NPSR1TSHRRAB9A
SCHEMBL14973267 0.79 KMT2A (0.43) KMT2ASMN1; SMN2NPSR1TSHRRAB9A
SCHEMBL17039221 0.76 KMT2A (0.41) KMT2ASMN1; SMN2NPSR1TSHRRAB9A
SCHEMBL6065413 0.75 DGAT1 (0.47) KMT2ASMN1; SMN2NPSR1KDM4EDGAT1
SCHEMBL25067052 0.73 KMT2A (0.39) KMT2ASMN1; SMN2NPSR1TSHRRAB9A
SCHEMBL17036488 0.73 KMT2A (0.39) KMT2ASMN1; SMN2NPSR1TSHRRAB9A
SCHEMBL25067054 0.72 KMT2A (0.38) KMT2ASMN1; SMN2NPSR1TSHRRAB9A
SCHEMBL1450952 0.71 KMT2A (0.52) KMT2ASMN1; SMN2NPSR1TSHRRAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors Ichnos Sciences SA (CH) 2020-11-03 US disclosed
US-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2019-09-19 US disclosed
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A (CH) 2019-08-27 US disclosed
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2018-07-19 US disclosed
US-9949955-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2018-04-24 US disclosed
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2016-11-24 US disclosed
US-9439890-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2016-09-13 US disclosed
US-20150283117-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2015-10-08 US disclosed
US-9096545-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2015-08-04 US disclosed
US-20150087646-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-03-26 US disclosed
EP-2718284-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2014-04-16 EP disclosed
WO-2013186692-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-12-19 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 (7 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-20150283117-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGIS, PTGS1 KMT2A 4291/4885SMN1; SMN2 1893/4885NPSR1 519/4885
US-20190282548-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS KMT2A 3898/4885SMN1; SMN2 1312/4885NPSR1 688/4885
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS KMT2A 3898/4885SMN1; SMN2 1312/4885NPSR1 688/4885
US-10391083-B2 Triazolone compounds as MPGES-1 inhibitors PTGES, PTGS1, PTGIS KMT2A 3898/4885SMN1; SMN2 1312/4885NPSR1 688/4885
US-20180200229-A1 TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS PTGES, PTGS1, PTGIS KMT2A 3898/4885SMN1; SMN2 1312/4885NPSR1 688/4885
US-20150087646-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS KMT2A 3898/4885SMN1; SMN2 1312/4885NPSR1 688/4885
US-10821100-B2 Triazolone compounds as mPGES-1 inhibitors PTGES, PTGS1, PTGIS KMT2A 3898/4885SMN1; SMN2 1312/4885NPSR1 688/4885

“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.