SCHEMBL1706720

SCHEMBL1706720

O=C(Nc1ccnc(Br)c1F)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 17/20 0.55
JAK2 O60674 14/20 0.55
JAK1 P23458 8/20 0.55
CYP3A4 P08684 1/20 0.49
CDK9 P50750 1/20 0.44
JAK3 P52333 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL793356 0.86 TYK2 (0.58) TYK2JAK2JAK1CYP3A4CDK9
SCHEMBL793561 0.83 TYK2 (0.49) TYK2JAK2JAK1CYP3A4CDK9
SCHEMBL792054 0.80 TYK2 (0.59) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL1707186 0.77 TYK2 (0.59) TYK2JAK2JAK1CDK9JAK3
SCHEMBL22208177 0.76 KDM4E (0.37) MEN1KMT2A
SCHEMBL1706179 0.74 TYK2 (0.59) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL1707776 0.74 TYK2 (0.46) TYK2JAK2JAK1CYP3A4MEN1
SCHEMBL793233 0.74 HTT (0.47) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL793330 0.72 TYK2 (0.43) TYK2JAK2JAK1
SCHEMBL24808662 0.72 DYRK1A (0.37) CDK9MEN1KMT2A

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 1/4885JAK1 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.