Sugi Predict

Sugi Predict / Compounds / SCHEMBL1707079

SCHEMBL1707079

SCHEMBL1707079

Cc1cc(Nc2nccc(NC(=O)c3c(Cl)cc(C#N)cc3Cl)c2[N+](=O)[O-])nc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 8/20 0.42
▸ JAK2 O60674 3/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ EGFR P00533 2/20 0.37
▸ LCK P06239 2/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ YES1 P07947 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ HCK P08631 1/20 0.37
▸ FGR P09769 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ MAPK12 P53778 1/20 0.37

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
SCHEMBL1707726 0.80 TYK2 (0.48) TYK2JAK2JAK1LMNAGSK3A
SCHEMBL3517257 0.79 TYK2 (0.61) TYK2JAK2JAK1EGFR
SCHEMBL1706755 0.70 EGFR (0.48) TYK2JAK2JAK3JAK1EGFR
SCHEMBL792819 0.67 TYK2 (0.52) TYK2JAK2JAK1GSK3AGSK3B
SCHEMBL6119375 0.67 TYK2 (0.48) TYK2JAK2JAK3JAK1CDK2
SCHEMBL2371319 0.67 TYK2 (0.57) TYK2JAK2JAK3JAK1CDK2
SCHEMBL11898568 0.67 TYK2 (0.75) TYK2JAK2JAK3JAK1CDK2
SCHEMBL3514738 0.66 EGFR (0.59) TYK2JAK2JAK1EGFR
SCHEMBL3514394 0.66 TYK2 (0.53) TYK2JAK2JAK1EGFR
SCHEMBL3512491 0.65 EGFR (0.69) TYK2JAK2JAK3JAK1CDK9

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 9 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
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 1/4885JAK3 3/4885

“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.