SCHEMBL406629

SCHEMBL406629

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FPR1 P21462 2/20 0.42
ALDH1A1 P00352 4/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
IRAK4 Q9NWZ3 4/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
STING1 Q86WV6 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
SCHEMBL405685 0.85 KDM4E (0.45) KDM4EHPGDHSD17B10ALDH1A1JAK2
SCHEMBL406628 0.83 FPR1 (0.45) KDM4EHPGDHSD17B10FPR1ALDH1A1
SCHEMBL400997 0.83 IRAK4 (0.47) KDM4EHPGDSMN1; SMN2ALDH1A1IRAK4
SCHEMBL405286 0.81 JAK2 (0.55) FPR1JAK2JAK1TYK2JAK3
SCHEMBL405587 0.81 JAK2 (0.53) FPR1JAK2JAK1TYK2JAK3
SCHEMBL400996 0.80 JAK2 (0.55) KDM4EFPR1ALDH1A1JAK2JAK1
SCHEMBL405541 0.80 JAK2 (0.49) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL405586 0.80 JAK2 (0.54) KDM4EHSD17B10FPR1JAK2JAK1
SCHEMBL404092 0.80 IRAK4 (0.42) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL404091 0.79 JAK2 (0.53) FPR1JAK2JAK1TYK2JAK3

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 8 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
EP-2348860-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2011-08-03 EP disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 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 (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 1299/4885HPGD 2251/4885HSD17B10 2335/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KDM4E 1299/4885HPGD 2251/4885HSD17B10 2335/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KDM4E 1299/4885HPGD 2251/4885HSD17B10 2335/4885

“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.