SCHEMBL3514976

SCHEMBL3514976

Cc1cccc(Cl)c1C(=O)Nc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 1.00
JAK2 O60674 8/20 0.79
JAK1 P23458 5/20 0.79
CYP3A4 P08684 1/20 0.79
HTT P42858 1/20 0.56
NOD2 Q9HC29 1/20 0.56
ITGB1 P05556 2/20 0.54
ITGA4 P13612 2/20 0.54
ITGA2 P17301 1/20 0.54
ITGB7 P26010 1/20 0.54
NT5E P21589 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL30230787 0.86 TYK2 (0.75) TYK2JAK2JAK1CYP3A4ITGB1
SCHEMBL9884060 0.86 TYK2 (0.75) TYK2JAK2JAK1CYP3A4ITGB1
SCHEMBL3514983 0.82 TYK2 (0.79) TYK2JAK2JAK1CYP3A4HTT
SCHEMBL3515171 0.82 JAK1 (1.00) TYK2JAK2JAK1CYP3A4HTT
SCHEMBL3515504 0.82 TYK2 (1.00) TYK2JAK2JAK1CYP3A4HTT
SCHEMBL3512502 0.81 TYK2 (0.73) TYK2JAK2JAK1CYP3A4HTT
SCHEMBL3515067 0.81 TYK2 (0.73) TYK2JAK2JAK1CYP3A4HTT
SCHEMBL27464184 0.81 TYK2 (0.68) TYK2JAK2JAK1CYP3A4HTT
SCHEMBL25219057 0.79 TYK2 (0.66) TYK2ITGB1ITGA4ITGA2ITGB7
SCHEMBL3513925 0.79 TYK2 (0.66) TYK2JAK2JAK1CYP3A4HTT

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.