SCHEMBL1706080

SCHEMBL1706080

O=C(Nc1cc(Cl)ncn1)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
TYK2 P29597 19/20 0.54
JAK2 O60674 16/20 0.54
JAK1 P23458 9/20 0.54
CDK9 P50750 1/20 0.51
JAK3 P52333 1/20 0.51
CYP3A4 P08684 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
SCHEMBL3515299 0.82 TYK2 (0.70) TYK2JAK2JAK1CDK9JAK3
SCHEMBL10172501 0.79 SMN1; SMN2 (0.57) RAB9ATYK2JAK2
SCHEMBL1707052 0.78 TYK2 (0.68) RAB9ATYK2JAK2JAK1CDK9
SCHEMBL1706744 0.77 JAK2 (0.58) TYK2JAK2JAK1CDK9JAK3
SCHEMBL374175 0.76 MEN1 (0.62) RAB9ACYP3A4
SCHEMBL3514479 0.76 JAK2 (0.52) RAB9ATYK2JAK2JAK1CDK9
SCHEMBL18185358 0.74 L3MBTL1 (0.48)
SCHEMBL3512536 0.74 CYP1A2 (0.55) TYK2JAK2JAK1
SCHEMBL8803532 0.74 MEN1 (0.44) RAB9A
SCHEMBL3512457 0.73 JAK2 (0.49) RAB9ATYK2JAK2JAK1JAK3

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 RAB9A 2583/4885TYK2 21/4885JAK2 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.