SCHEMBL3513868

SCHEMBL3513868

CN(C)C(=O)c1ccc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ncn2)nc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 14/20 0.48
JAK2 O60674 11/20 0.48
JAK1 P23458 8/20 0.48
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
F10 P00742 1/20 0.42
EGFR P00533 2/20 0.42
GRM5 P41594 1/20 0.42
ERBB3 P21860 1/20 0.42
TNNI3K Q59H18 1/20 0.40

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
SCHEMBL3512536 0.87 CYP1A2 (0.55) TYK2JAK2JAK1CYP1A2CYP2C9
SCHEMBL3514479 0.87 JAK2 (0.52) TYK2JAK2JAK1RAB9AEGFR
SCHEMBL3512457 0.86 JAK2 (0.49) TYK2JAK2JAK1RAB9ACYP1A2
SCHEMBL3513033 0.85 TYK2 (0.66) TYK2JAK2JAK1
SCHEMBL3515509 0.80 GRM5 (0.47) TYK2JAK2JAK1RAB9AGRM5
SCHEMBL3513750 0.78 KDM4E (0.58) TYK2JAK2JAK1RAB9AGRM5
SCHEMBL1706744 0.75 JAK2 (0.58) TYK2JAK2JAK1EGFRERBB3
SCHEMBL5238598 0.72 HCAR3 (0.50) TYK2JAK2JAK1RAB9A
SCHEMBL5236720 0.72 HCAR3 (0.66) TYK2JAK2JAK1RAB9A
SCHEMBL3514268 0.72 TYK2 (0.69) TYK2JAK2JAK1

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.