SCHEMBL1706239

SCHEMBL1706239

N#Cc1cc(F)c(C(=O)Nc2ccnc(Br)c2)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 11/20 0.64
JAK2 O60674 5/20 0.64
PPARG P37231 3/20 0.47
JAK1 P23458 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
GRM4 Q14833 3/20 0.41

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
SCHEMBL1706769 0.92 TYK2 (0.65) TYK2JAK2PPARGJAK1TAS1R3
SCHEMBL3515207 0.82 TYK2 (0.65) TYK2JAK2PPARGJAK1TAS1R3
SCHEMBL12988808 0.81 TYK2 (0.86) TYK2JAK2JAK1
SCHEMBL25481891 0.79 TYK2 (1.00) TYK2JAK2JAK1
SCHEMBL3513057 0.79 TYK2 (1.00) TYK2JAK2JAK1
SCHEMBL3514969 0.79 TYK2 (1.00) TYK2JAK2JAK1
SCHEMBL793181 0.78 TYK2 (0.55) TYK2JAK2PPARGTAS1R3TAS1R1
SCHEMBL21056025 0.78 PPARG (0.66) TYK2JAK2PPARGJAK1GRM4
SCHEMBL1706019 0.78 TYK2 (0.55) TYK2JAK2JAK1
SCHEMBL3517558 0.77 TYK2 (0.70) TYK2JAK2PPARGJAK1TAS1R3

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 4 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
EP-2440529-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO 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 1/4885PPARG 3239/4885

“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.