SCHEMBL21484075

SCHEMBL21484075

CC(C)(C)OC(=O)NCc1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
MAPK1 P28482 1/20 0.59
ATM Q13315 1/20 0.59
GAA P10253 3/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.52
DRD2 P14416 3/20 0.50
KDM4A O75164 1/20 0.49
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 2/20 0.43

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
SCHEMBL29793807 0.91 POLB (0.53) POLBMAPK1ATMGAALMNA
SCHEMBL14907839 0.91 POLB (0.53) POLBMAPK1ATMGAALMNA
SCHEMBL29076147 0.90 POLB (0.52) POLBMAPK1ATMGAALMNA
SCHEMBL21011950 0.89 POLB (0.54) POLBMAPK1ATMGAALMNA
SCHEMBL25366588 0.88 POLB (0.50) POLBMAPK1ATMGAALMNA
SCHEMBL19717777 0.87 POLB (0.49) POLBMAPK1ATMGAALMNA
SCHEMBL26147436 0.84 NPC1 (0.60) POLBMAPK1ATMLMNAHPGD
SCHEMBL14907895 0.83 POLB (0.47) POLBMAPK1ATMGAALMNA
SCHEMBL12680199 0.83 POLB (0.48) POLBMAPK1ATMLMNAKDM4A
SCHEMBL16397127 0.82 RPS6KA1 (0.48) POLBMAPK1ATMGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE QURIENT CO., LTD. (KR) 2019-10-17 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 POLB 2466/4885MAPK1 347/4885ATM 2520/4885
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS POLB 2313/4885MAPK1 281/4885ATM 2219/4885
US-20150087646-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS POLB 2313/4885MAPK1 281/4885ATM 2219/4885

“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.