SCHEMBL1707052

SCHEMBL1707052

O=C(Nc1ccncn1)c1c(Cl)cccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 16/20 0.68
JAK2 O60674 13/20 0.68
JAK1 P23458 9/20 0.68
CYP3A4 P08684 1/20 0.62
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
RAB9A P51151 1/20 0.51
CDK9 P50750 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL3515800 0.82 TYK2 (1.00) TYK2JAK2JAK1CYP3A4CDK9
SCHEMBL3514671 0.80 TYK2 (0.77) TYK2JAK2JAK1CYP3A4CDK9
SCHEMBL1706080 0.78 RAB9A (0.55) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL3516844 0.77 TYK2 (0.53) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL3515341 0.76 TYK2 (0.58) TYK2JAK2JAK1CYP3A4RAB9A
SCHEMBL17607125 0.76 MAPK7 (0.74) TYK2JAK2JAK1
SCHEMBL8807003 0.76 CHRNB2 (0.64) TYK2JAK2CHRNB2CHRNB4CHRNA3
SCHEMBL14083547 0.76 TRPV1 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL3513072 0.76 TYK2 (0.62) TYK2JAK2JAK1CYP3A4
SCHEMBL3512651 0.75 TYK2 (0.85) TYK2JAK2JAK1CDK9JAK3

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.