SCHEMBL5820080

SCHEMBL5820080

CCOC(=O)c1ncc(NC(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ MAPKAPK2 P49137 5/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ SYK P43405 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RORC P51449 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
SCHEMBL18839612 0.83 MAPKAPK2 (0.41) ATRALDH1A1MAPTMAPKAPK2RORC
SCHEMBL17986656 0.82 MAPT (0.37) MAPTNPSR1MAPKAPK2SMN1; SMN2KMT2A
SCHEMBL18805715 0.81 RORC (0.53) ATRMAPKAPK2SYKRORC
SCHEMBL18862940 0.80 MALT1 (0.40) ATRALDH1A1MAPTMAPKAPK2RORC
SCHEMBL5593053 0.80 ALDH1A1 (0.47) ALDH1A1MAPTNPSR1NPC1MAPKAPK2
SCHEMBL17986785 0.80 ALDH1A1 (0.44) ALDH1A1MAPTNPSR1NPC1TP53
SCHEMBL1010435 0.79 ATR (0.46) ATRALDH1A1MAPKAPK2RORC
SCHEMBL23608711 0.78 RORC (0.41) ATRMAPKAPK2RORC
SCHEMBL29882694 0.78 RORC (0.41) ATRMAPKAPK2RORC
SCHEMBL5863937 0.77 MAPKAPK2 (0.39) ALDH1A1MAPTNPSR1MAPKAPK2KDM4E

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
CN-108473499-B Novel pyrazolopyrimidine derivatives 诺华股份有限公司 2021-07-23 — — CN disclosed
US-20200289514-A1 Novel Pyrazolo Pyrimidine Derivatives NOVARTIS PHARMA AG (CH) 2020-09-17 — — US disclosed
US-20200289514-A1 Novel Pyrazolo Pyrimidine Derivatives NOVARTIS PHARMA AG (CH) 2020-09-17 — — US disclosed
EP-3374361-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES Novartis AG (CH) 2018-09-19 — — EP disclosed
WO-2017081641-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2017-05-18 — — WO disclosed
WO-2017081641-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2017-05-18 — — WO disclosed
WO-2006112828-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2006-10-26 — — WO disclosed
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS INC. 2005-12-29 — — US disclosed
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 — — US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 — — US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 — — US disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 — — EP 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A ATR 2719/4885ALDH1A1 476/4885MAPT 4144/4885
US-20200289514-A1 Novel Pyrazolo Pyrimidine Derivatives MMEL1, PPME1, CTSC ATR 2574/4885ALDH1A1 3274/4885MAPT 3426/4885
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK3 ATR 1319/4885ALDH1A1 1498/4885MAPT 1615/4885

“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.

Send feedback