SCHEMBL3517547

SCHEMBL3517547

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.56
JAK2 O60674 7/20 0.56
JAK1 P23458 6/20 0.56
CYP3A4 P08684 2/20 0.56
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
BRAF P15056 1/20 0.47
MAPT P10636 1/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NT5E P21589 1/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL3514871 0.85 TYK2 (0.68) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3513005 0.83 TYK2 (0.60) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3514445 0.80 TYK2 (0.73) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3513834 0.80 TYK2 (0.63) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3516173 0.75 JAK1 (0.69) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL30831896 0.71 TAS1R3 (0.68) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL27198417 0.71 TAS1R3 (0.68) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3515462 0.71 TYK2 (0.58) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3513925 0.70 TYK2 (0.66) TYK2JAK2JAK1CYP3A4KMT2A
SCHEMBL3514976 0.70 TYK2 (1.00) TYK2JAK2JAK1CYP3A4KMT2A

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.