SCHEMBL1706744

SCHEMBL1706744

O=C(O)c1ccc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ncn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.58
TYK2 P29597 11/20 0.58
EGFR P00533 7/20 0.58
ERBB3 P21860 6/20 0.58
JAK1 P23458 7/20 0.51
CCNB2 O95067 1/20 0.50
CCNE2 O96020 1/20 0.50
CDK1 P06493 1/20 0.50
CDK4 P11802 1/20 0.50
CCNB1 P14635 1/20 0.50
CCND1 P24385 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
KMO O15229 1/20 0.50
FGFR1 P11362 1/20 0.47
CDK9 P50750 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL3512536 0.86 CYP1A2 (0.55) JAK2TYK2EGFRERBB3JAK1
SCHEMBL3514479 0.86 JAK2 (0.52) JAK2TYK2EGFRERBB3JAK1
SCHEMBL1706053 0.84 TYK2 (0.82) JAK2TYK2JAK1CDK9JAK3
SCHEMBL1707730 0.83 EGFR (0.66) JAK2TYK2EGFRERBB3FGFR1
SCHEMBL3512548 0.81 ALDH1A1 (0.51) JAK2TYK2EGFRERBB3JAK1
SCHEMBL3514873 0.81 CCNT1 (0.53) EGFRERBB3CDK4CCND1CDK9
SCHEMBL3516179 0.79 AURKA (0.68) JAK2TYK2
SCHEMBL4872523 0.77 NPC1 (0.57) EGFRERBB3KMO
SCHEMBL1706080 0.77 RAB9A (0.55) JAK2TYK2JAK1CDK9JAK3
SCHEMBL5244511 0.76 NPC1 (0.56) EGFRERBB3KMO

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 9 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
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
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
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 JAK2 1/4885TYK2 21/4885EGFR 212/4885

“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.