SCHEMBL406045

SCHEMBL406045

O=C(Nc1ccccc1)c1cnn2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NLRP3 Q96P20 1/20 0.48
JAK2 O60674 4/20 0.47
GPR27 Q9NS67 3/20 0.47
AVPR2 P30518 1/20 0.47
IRAK4 Q9NWZ3 5/20 0.47
ITGA1 P56199 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
EPHB3 P54753 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
WDR5 P61964 1/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43
JAK3 P52333 2/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL402169 0.93 MEN1 (0.49) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL16461059 0.86 IRAK4 (0.49) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL16461298 0.86 NPC1 (0.48) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL16460557 0.85 IRAK4 (0.52) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL16460148 0.84 GPR27 (0.49) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL16460642 0.83 NTRK1 (0.45) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL16461057 0.83 GPR27 (0.47) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL400997 0.83 IRAK4 (0.47) NPC1RAB9ASMN1; SMN2GPR27IRAK4
SCHEMBL16459838 0.83 IRAK4 (0.44) NPC1RAB9ASMN1; SMN2NLRP3JAK2
SCHEMBL406044 0.81 IRAK4 (0.47) JAK2IRAK4JAK1TYK2JAK3

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 NPC1 2785/4885RAB9A 869/4885SMN1; SMN2 2551/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 2785/4885RAB9A 869/4885SMN1; SMN2 2551/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 2785/4885RAB9A 869/4885SMN1; SMN2 2551/4885

“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.