SCHEMBL15428752

SCHEMBL15428752

Cc1cccc(N(c2ccn3ncc(C(=O)Nc4ccccc4)c3n2)[SH](=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.45
RAB9A P51151 9/20 0.45
TP53 P04637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
EPHB3 P54753 1/20 0.45
JAK2 O60674 3/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KLF5 Q13887 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NLRP3 Q96P20 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL15428710 0.87 IRAK4 (0.46) NPC1RAB9ATP53KDM4EEPHB3
SCHEMBL15428730 0.87 TYK2 (0.47) NPC1RAB9ATP53KDM4EEPHB3
SCHEMBL15428679 0.86 NPC1 (0.47) NPC1RAB9ATP53KDM4EEPHB3
SCHEMBL15428576 0.86 NPC1 (0.48) NPC1RAB9ATP53KDM4EEPHB3
SCHEMBL15428619 0.83 EPHB3 (0.47) NPC1RAB9ATP53KDM4EEPHB3
SCHEMBL15428725 0.83 EPHB3 (0.48) NPC1RAB9ATP53KDM4EEPHB3
SCHEMBL15428663 0.83 JAK2 (0.46) NPC1RAB9ATP53KDM4EEPHB3
SCHEMBL15428622 0.82 TYK2 (0.46) NPC1RAB9ATP53KDM4EEPHB3
SCHEMBL15428687 0.82 NPC1 (0.45) NPC1RAB9ATP53KDM4EEPHB3
SCHEMBL15428727 0.82 EPHB3 (0.47) NPC1RAB9ATP53KDM4EEPHB3

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 5 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

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 NPC1 2785/4885RAB9A 869/4885TP53 293/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 2785/4885RAB9A 869/4885TP53 293/4885

“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.