SCHEMBL1706582

SCHEMBL1706582

O=C(Nc1ccncc1)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 9/20 0.73
JAK2 O60674 8/20 0.73
JAK1 P23458 6/20 0.73
CYP3A4 P08684 1/20 0.73
KMT2A Q03164 3/20 0.60
NT5E P21589 1/20 0.60
MEN1 O00255 2/20 0.59
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57
KCNMA1 Q12791 1/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 1/20 0.54
NOD2 Q9HC29 1/20 0.54

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
SCHEMBL3514356 0.87 TYK2 (0.69) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL1706116 0.87 TYK2 (0.69) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3513468 0.85 TYK2 (0.67) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3514566 0.84 TYK2 (0.75) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3514599 0.84 TYK2 (0.65) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3512628 0.84 TYK2 (0.65) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3514722 0.84 TYK2 (0.65) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3513715 0.84 TYK2 (0.65) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL12986956 0.83 TYK2 (0.63) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL12986360 0.83 TYK2 (0.63) TYK2JAK2JAK1CYP3A4KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459187-B Janus Kinase Inhibiting Compounds and Methods HOFFMANN LA ROCHE 2015-06-17 CN disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
CN-102459187-A Janus Kinase Inhibiting Compounds and Methods HOFFMANN LA ROCHE 2012-05-16 CN disclosed
EP-2440529-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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 (1 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TYK2 21/4885JAK2 1/4885JAK1 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.