SCHEMBL3516487

SCHEMBL3516487

CCOC(=O)c1ccc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)nc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 19/20 0.62
JAK2 O60674 17/20 0.62
JAK1 P23458 11/20 0.62
JAK3 P52333 2/20 0.55
EGFR P00533 1/20 0.53
CDK9 P50750 1/20 0.52

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
SCHEMBL1706614 0.89 TYK2 (0.67) TYK2JAK2JAK1JAK3EGFR
SCHEMBL3515248 0.86 TYK2 (0.63) TYK2JAK2JAK1JAK3EGFR
SCHEMBL3514268 0.85 TYK2 (0.69) TYK2JAK2JAK1JAK3CDK9
SCHEMBL12987231 0.85 TYK2 (0.71) TYK2JAK2JAK1JAK3CDK9
SCHEMBL3514600 0.84 TYK2 (0.70) TYK2JAK2JAK1JAK3CDK9
SCHEMBL3517511 0.84 TYK2 (0.73) TYK2JAK2JAK1JAK3CDK9
SCHEMBL3513033 0.83 TYK2 (0.66) TYK2JAK2JAK1JAK3CDK9
SCHEMBL3514991 0.83 JAK2 (0.49) TYK2JAK2JAK1JAK3EGFR
SCHEMBL3515251 0.81 TYK2 (0.69) TYK2JAK2JAK1JAK3CDK9
SCHEMBL3517458 0.80 TYK2 (0.59) TYK2JAK2JAK1JAK3EGFR

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 7 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
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.