SCHEMBL405685

SCHEMBL405685

O=C(O)c1cnn2ccc(NS(=O)(=O)c3ccccc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KEAP1 Q14145 6/20 0.43
NFE2L2 Q16236 6/20 0.43
MMP2 P08253 1/20 0.41
GAA P10253 1/20 0.41
TGFBR1 P36897 1/20 0.41
METAP2 P50579 2/20 0.41
ACLY P53396 1/20 0.41
POLB P06746 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.40

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
SCHEMBL400997 0.88 IRAK4 (0.47) KDM4EALDH1A1HPGDPOLBIRAK4
SCHEMBL406628 0.86 FPR1 (0.45) KDM4EALDH1A1HPGDHSD17B10JAK2
SCHEMBL406387 0.86 LMNA (0.44) KDM4EALDH1A1HPGDHSD17B10JAK2
SCHEMBL406629 0.85 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10JAK2
SCHEMBL404092 0.85 IRAK4 (0.42) POLBJAK2JAK1TYK2JAK3
SCHEMBL405286 0.84 JAK2 (0.55) TGFBR1JAK2JAK1TYK2JAK3
SCHEMBL400996 0.83 JAK2 (0.55) KDM4EALDH1A1TGFBR1POLBJAK2
SCHEMBL405587 0.81 JAK2 (0.53) TGFBR1JAK2JAK1TYK2JAK3
SCHEMBL404091 0.81 JAK2 (0.53) TGFBR1JAK2JAK1TYK2JAK3
SCHEMBL405586 0.81 JAK2 (0.54) KDM4EHSD17B10TGFBR1JAK2JAK1

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
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KDM4E 1299/4885ALDH1A1 1236/4885HPGD 2251/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KDM4E 1299/4885ALDH1A1 1236/4885HPGD 2251/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KDM4E 1299/4885ALDH1A1 1236/4885HPGD 2251/4885

“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.