SCHEMBL3059609

SCHEMBL3059609

Cc1c(N=C=O)cnn1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
SLC9A1 P19634 1/20 0.47
SLC9A2 Q9UBY0 1/20 0.47
PTGS2 P35354 4/20 0.46
RAB9A P51151 9/20 0.42
NPC1 O15118 8/20 0.42
HPGD P15428 2/20 0.42
PKM P14618 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM4 Q14833 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SMO Q99835 1/20 0.40
MEN1 O00255 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
SCHEMBL3839947 0.78 MAPK1 (0.54) MAPK1SLC9A1SLC9A2PTGS2RAB9A
SCHEMBL8965378 0.75 NPC1 (0.48) MAPK1SLC9A1SLC9A2PTGS2RAB9A
SCHEMBL8965380 0.75 NPC1 (0.48) MAPK1SLC9A1SLC9A2PTGS2RAB9A
SCHEMBL11790513 0.71 MAPK1 (0.46) MAPK1SLC9A1SLC9A2PTGS2RAB9A
SCHEMBL1566534 0.71 MAPK1 (0.54) MAPK1SLC9A1SLC9A2PTGS2RAB9A
SCHEMBL3841619 0.71 MAPK1 (0.58) MAPK1SLC9A1SLC9A2PTGS2RAB9A
SCHEMBL3056784 0.71 SMN1; SMN2 (0.51) MAPK1RAB9ANPC1HPGDMAPT
SCHEMBL14188153 0.69 MAPK1 (0.56) MAPK1SLC9A1SLC9A2PTGS2RAB9A
SCHEMBL12806554 0.69 SMO (0.59) MAPK1SLC9A1SLC9A2PTGS2RAB9A
SCHEMBL1905374 0.68 MAPK1 (0.54) MAPK1SLC9A1SLC9A2PTGS2RAB9A

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-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-7541368-B2 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-{3-[1-(1-methyl-cyclopropanecarbonyl)-piperidin-4-ylmethyl]-phenyl}-urea; use in the treatment of disease states capable of being modulated by the inhibition of p38 kinase and tumor necrosis factor (TNF) AVENTIS PHARMACEUTICALS INC. (US) 2009-06-02 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US disclosed
EP-1622610-B1 1-(2H-PYRAZOL-3-YL)-3-{4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AVENTIS PHARMA INC (US) 2006-12-20 EP disclosed
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor AVENTIS PHARMACEUTICALS INC. (US) 2006-03-23 US disclosed
EP-1622610-A1 1-(2H-PYRAZOL-3-YL)-3- 4-[1-(BENZOYL)-PIPERIDIN-4-YLMETHYL]-PHENYL -UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS Aventis Pharmaceuticals Inc. (US) 2006-02-08 EP disclosed
WO-2004100946-A1 1- (2H-PYRAZOL -3-YL) -3YL) {4-`1- (BENZOYL) -PIPERIDIN-4-YLMETHYL!-PHENYL}-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHBITORS OF P38 KINASE AND/OR TNF INHIBITORS FOR THE TREATMENT OF IMFLAMMATIONS AVENTIS PHARMACEUTICALS INC. (US) 2004-11-25 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 (4 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPK1 1449/4885SLC9A1 3482/4885SLC9A2 3755/4885
US-20060063796-A1 Pyrazoles as inhibitors of tumor necrosis factor TNF, LITAF, MAPK1 MAPK1 3/4885SLC9A1 3278/4885SLC9A2 4323/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPK1 1449/4885SLC9A1 3482/4885SLC9A2 3755/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPK1 1449/4885SLC9A1 3482/4885SLC9A2 3755/4885

“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.