SCHEMBL15428604

SCHEMBL15428604

NC(=O)c1ccnn1-c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.50
ALDH1A1 P00352 2/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
PARP1 P09874 1/20 0.42
LMNA P02545 1/20 0.41
MAP3K14 Q99558 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RPS6KB1 P23443 1/20 0.40
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
PDE4B Q07343 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL28288937 0.83 NR3C2 (0.47) NR3C2ALDH1A1JAK2JAK1TYK2
SCHEMBL6525481 0.82 NPC1 (0.46) NR3C2ALDH1A1PARP1LMNAKDM4E
SCHEMBL15428570 0.81 HTT (0.45) NR3C2ALDH1A1JAK2JAK1TYK2
SCHEMBL15428637 0.81 NR3C2 (0.51) NR3C2RPS6KB1HSP90AA1RIPK1MAPK14
SCHEMBL15428646 0.81 NR3C2 (0.50) NR3C2ALDH1A1LMNAKDM4EMAPT
SCHEMBL15428729 0.81 HSP90AA1 (0.36) NR3C2LMNAHSP90AA1
SCHEMBL31284233 0.79 POLB (0.39) NR3C2ALDH1A1JAK2JAK1TYK2
SCHEMBL2427927 0.78 SMN1; SMN2 (0.40) NR3C2LMNAMAP3K14
SCHEMBL15428659 0.77 SCN9A (0.42) ALDH1A1LMNAKDM4EMAPTAKR1C3
SCHEMBL3168308 0.76 POLB (0.53) NR3C2ALDH1A1LMNAKDM4ESRC

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
CN-101061103-A Anthranilamide insecticides DU PONT (US) 2007-10-24 CN 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 (2 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-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NR3C2 1351/4885ALDH1A1 1236/4885JAK2 1/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NR3C2 1351/4885ALDH1A1 1236/4885JAK2 1/4885

“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.