SCHEMBL3512502

SCHEMBL3512502

CC(=O)Nc1cccc(Cl)c1C(=O)Nc1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.73
JAK2 O60674 10/20 0.73
JAK1 P23458 7/20 0.73
CYP3A4 P08684 1/20 0.73
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.54
HTT P42858 1/20 0.52
NOD2 Q9HC29 1/20 0.52
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
MAPK7 Q13164 1/20 0.47

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
SCHEMBL3513005 0.83 TYK2 (0.60) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL3514871 0.83 TYK2 (0.68) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL3514976 0.81 TYK2 (1.00) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL3514983 0.78 TYK2 (0.79) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL3513715 0.78 TYK2 (0.65) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL3515504 0.78 TYK2 (1.00) TYK2JAK2JAK1CYP3A4HTT
SCHEMBL3515171 0.78 JAK1 (1.00) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL3515067 0.78 TYK2 (0.73) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL13602368 0.77 PKM (0.49) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL24074064 0.77 POLB (0.71) TYK2JAK2MEN1KMT2APOLB

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.