SCHEMBL3512979

SCHEMBL3512979

COc1cc(NC(=O)c2c(Cl)cccc2OC)ccn1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 15/20 0.60
JAK2 O60674 13/20 0.60
JAK1 P23458 7/20 0.60
CDK9 P50750 1/20 0.51
JAK3 P52333 1/20 0.51
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
GRM4 Q14833 2/20 0.50
CYP3A4 P08684 1/20 0.50
SCN10A Q9Y5Y9 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL3513737 0.92 TYK2 (0.69) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3515067 0.83 TYK2 (0.73) TYK2JAK2JAK1CYP3A4
SCHEMBL3540939 0.82 TYK2 (0.79) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3512663 0.78 TYK2 (0.70) TYK2JAK2JAK1CDK9JAK3
SCHEMBL3517116 0.76 TYK2 (0.70) TYK2JAK2JAK1CDK9JAK3
SCHEMBL17607263 0.75 MAPK7 (0.75) TYK2JAK2JAK1JAK3
SCHEMBL13043404 0.75 TYK2 (1.00) TYK2JAK2JAK1CDK9JAK3
SCHEMBL1707688 0.75 TYK2 (0.70) TYK2JAK2JAK1CDK9JAK3
SCHEMBL113971 0.75 KCNK9 (0.66) TYK2JAK2KCNK3KCNK9HDAC6
SCHEMBL27077630 0.74 CNR1 (0.53) TYK2JAK2JAK1KCNK3KCNK9

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-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
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.