SCHEMBL404082

SCHEMBL404082

Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(C(F)(F)F)c4)nc23)on1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 1.00
TYK2 P29597 2/20 1.00
JAK1 P23458 1/20 1.00
JAK3 P52333 1/20 1.00
ATF1 P18846 1/20 0.44
NFKB1 P19838 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 2/20 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
SCHEMBL405042 0.86 TYK2 (0.76) JAK2TYK2JAK1JAK3ATF1
SCHEMBL405167 0.86 JAK2 (0.76) JAK2TYK2JAK1JAK3ATF1
SCHEMBL406802 0.83 JAK2 (0.71) JAK2TYK2JAK1JAK3ALDH1A1
SCHEMBL407065 0.82 JAK2 (0.69) JAK2TYK2JAK1JAK3ATF1
SCHEMBL15428599 0.81 JAK2 (0.68) JAK2TYK2JAK1JAK3NFKB1
SCHEMBL16747660 0.80 JAK2 (0.66) JAK2TYK2JAK1JAK3KDM4E
SCHEMBL403971 0.80 JAK2 (0.66) JAK2TYK2JAK1JAK3ATF1
SCHEMBL403558 0.77 JAK2 (0.62) JAK2TYK2JAK1JAK3MAPT
SCHEMBL10191608 0.76 JAK2 (0.61) JAK2TYK2JAK1JAK3MAPT
SCHEMBL406314 0.76 JAK2 (0.61) JAK2TYK2JAK1JAK3MAPT

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 10 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
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US 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-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
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US 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 JAK2 1/4885TYK2 18/4885JAK1 2/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885TYK2 18/4885JAK1 2/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885TYK2 18/4885JAK1 2/4885

“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.