SCHEMBL3512704

SCHEMBL3512704

O=C(Nc1ccncc1)c1c(F)cccc1Br

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 6/20 0.79
JAK1 P23458 4/20 0.79
JAK2 O60674 4/20 0.79
HTT P42858 2/20 0.79
NOD2 Q9HC29 1/20 0.79
MAPK7 Q13164 4/20 0.66
CYP3A4 P08684 1/20 0.56
LMNA P02545 1/20 0.56
MAPK14 Q16539 1/20 0.55
TLR8 Q9NR97 1/20 0.54
TLR7 Q9NYK1 1/20 0.54
YTHDC1 Q96MU7 1/20 0.50
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL8124406 0.89 TYK2 (1.00) TYK2JAK1JAK2HTTNOD2
SCHEMBL3515504 0.82 TYK2 (1.00) TYK2JAK1JAK2HTTNOD2
SCHEMBL3514983 0.82 TYK2 (0.79) TYK2JAK1JAK2HTTNOD2
SCHEMBL17607170 0.80 MAPK7 (1.00) TYK2JAK1JAK2HTTNOD2
SCHEMBL3515679 0.79 TYK2 (0.68) TYK2JAK1JAK2HTTNOD2
SCHEMBL987314 0.77 JAK2 (0.62) TYK2JAK1JAK2HTTNOD2
SCHEMBL2726739 0.76 HTT (0.65) TYK2JAK1JAK2HTTNOD2
SCHEMBL3515796 0.76 TYK2 (0.75) TYK2JAK1JAK2HTTNOD2
SCHEMBL3513627 0.75 TYK2 (0.68) TYK2JAK1JAK2
SCHEMBL8120027 0.75 HTT (0.77) TYK2JAK1JAK2HTTNOD2

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 21/4885JAK1 2/4885JAK2 1/4885

“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.