SCHEMBL3516174

SCHEMBL3516174

CC(O)CNc1nc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)cc(C(C)C)n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.61
TYK2 P29597 18/20 0.57
JAK2 O60674 16/20 0.57
JAK1 P23458 10/20 0.56
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
SCHEMBL3518630 0.91 EGFR (0.63) EGFRTYK2JAK2JAK1CDK9
SCHEMBL3514970 0.90 EGFR (0.75) EGFRTYK2JAK2JAK1CDK9
SCHEMBL3515435 0.89 EGFR (0.60) EGFRTYK2JAK2JAK1CDK9
SCHEMBL3515029 0.88 TYK2 (0.64) EGFRTYK2JAK2JAK1CDK9
SCHEMBL3523507 0.88 EGFR (0.61) EGFRTYK2JAK2JAK1CDK9
SCHEMBL3515505 0.87 EGFR (0.67) EGFRTYK2JAK2JAK1CDK9
SCHEMBL3514861 0.87 EGFR (0.58) EGFRTYK2JAK2JAK1CDK9
SCHEMBL3515804 0.86 EGFR (0.82) EGFRTYK2JAK2JAK1CDK9
SCHEMBL3515801 0.86 EGFR (0.82) EGFRTYK2JAK2JAK1CDK9
SCHEMBL1706119 0.85 TYK2 (0.64) EGFRTYK2JAK2JAK1CDK9

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 EGFR 212/4885TYK2 21/4885JAK2 1/4885

“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.