SCHEMBL3515796

SCHEMBL3515796

O=C(Nc1ccncc1)c1c(F)cncc1F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 5/20 0.75
JAK2 O60674 4/20 0.75
JAK1 P23458 4/20 0.75
HTT P42858 3/20 0.75
NOD2 Q9HC29 1/20 0.75
KDM4E B2RXH2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP3A4 P08684 1/20 0.56
LMNA P02545 1/20 0.55
MDM2 Q00987 1/20 0.52
GAA P10253 2/20 0.52
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX12 P18054 1/20 0.51
XDH P47989 1/20 0.49
SLC22A12 Q96S37 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 0.86 TYK2 (1.00) TYK2JAK2JAK1HTTNOD2
SCHEMBL3514566 0.79 TYK2 (0.75) TYK2JAK2JAK1HTTNOD2
SCHEMBL3514109 0.78 TYK2 (0.69) TYK2JAK2JAK1HTTNOD2
SCHEMBL3515504 0.76 TYK2 (1.00) TYK2JAK2JAK1HTTNOD2
SCHEMBL3512704 0.76 TYK2 (0.79) TYK2JAK2JAK1HTTNOD2
SCHEMBL24746825 0.73 HTT (0.43) TYK2JAK2JAK1HTTNOD2
SCHEMBL20639127 0.73 LMNA (0.43) TYK2JAK2JAK1HTTNOD2
SCHEMBL3514361 0.73 TYK2 (0.62) TYK2JAK2JAK1HTTNOD2
SCHEMBL14716526 0.72 KDM4E (1.00) TYK2JAK2HTTKDM4EL3MBTL1
SCHEMBL1898755 0.72 GAA (0.91) TYK2JAK2HTTKDM4EL3MBTL1

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.