SCHEMBL3513005

SCHEMBL3513005

CC(=O)Nc1ccc(Cl)c(C(=O)Nc2ccncc2)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.60
JAK2 O60674 9/20 0.60
JAK1 P23458 8/20 0.60
CYP3A4 P08684 2/20 0.60
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NT5E P21589 1/20 0.47
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.46
NOD2 Q9HC29 1/20 0.46

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
SCHEMBL3514445 0.84 TYK2 (0.73) TYK2JAK2JAK1CYP3A4ROCK2
SCHEMBL3512502 0.83 TYK2 (0.73) TYK2JAK2JAK1CYP3A4ROCK2
SCHEMBL3517547 0.83 TYK2 (0.56) TYK2JAK2JAK1CYP3A4ROCK2
SCHEMBL3513715 0.78 TYK2 (0.65) TYK2JAK2JAK1CYP3A4ROCK2
SCHEMBL3516173 0.78 JAK1 (0.69) TYK2JAK2JAK1CYP3A4ROCK2
SCHEMBL5725486 0.77 ALDH1A1 (0.46) ROCK2KMT2AMEN1
SCHEMBL30831896 0.74 TAS1R3 (0.68) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL27198417 0.74 TAS1R3 (0.68) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3515462 0.74 TYK2 (0.58) TYK2JAK2JAK1CYP3A4ROCK2
SCHEMBL3513925 0.73 TYK2 (0.66) TYK2JAK2JAK1CYP3A4ROCK2

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.