SCHEMBL7966910

SCHEMBL7966910

Bc1cccc2nc(NC(=O)C3CC3)nn12

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.70
JAK2 O60674 13/20 0.67
TYK2 P29597 2/20 0.62
IKBKB O14920 1/20 0.62
RIPK2 O43353 1/20 0.62
LCK P06239 1/20 0.62
SYK P43405 1/20 0.62
GSK3B P49841 1/20 0.62
JAK3 P52333 1/20 0.62
PTK2B Q14289 1/20 0.62

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
SCHEMBL30927824 0.85 JAK1 (0.69) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL45724 0.85 JAK1 (0.69) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL11916700 0.85 JAK1 (0.69) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL11916701 0.83 JAK1 (1.00) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL2238798 0.83 JAK1 (0.66) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL13032999 0.82 JAK1 (0.65) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL2185993 0.81 JAK2 (0.82) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL22971286 0.81 JAK1 (0.65) JAK1JAK2TYK2IKBKBRIPK2
SCHEMBL21242583 0.81 JAK1 (0.66) JAK1JAK2TYK2JAK3
SCHEMBL22971084 0.81 JAK1 (0.63) JAK1JAK2TYK2IKBKBRIPK2

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
WO-2023082839-A1 FILGOTINIB PREPARATION METHOD 奥锐特药业(天津)有限公司 2023-05-19 WO disclosed
WO-2017012773-A1 SOLID FORMS OF FILGOTINIB FREE BASE RATIOPHARM GMBH (DE) 2017-01-26 WO disclosed
US-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ALFASIGMA S.P.A. (IT) 2011-08-04 US disclosed
WO-2010010190-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO 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-20110190260-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES TRAF6, IL6, TLR6 JAK1 84/4885JAK2 174/4885TYK2 171/4885

“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.