SCHEMBL12424042

SCHEMBL12424042

C[C@@H](O)c1nc2cnc3[nH]ccc3c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.46
JAK2 O60674 5/20 0.46
TYK2 P29597 6/20 0.42
JAK3 P52333 6/20 0.42
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 1/20 0.39
AXL P30530 1/20 0.39
PRKCI P41743 1/20 0.39
KCNH2 Q12809 1/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL20283374 1.00 JAK1 (0.46) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL23192445 0.88 AXL (0.41) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL24404372 0.82 JAK3 (0.40) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL20290071 0.81 JAK1 (0.36) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL30822865 0.78 CYP2C9 (0.36) JAK1JAK2JAK3
SCHEMBL12424590 0.77 PRKCI (0.47) JAK1JAK2TYK2JAK3AXL
SCHEMBL29588119 0.77 PRKCI (0.47) JAK1JAK2TYK2JAK3AXL
SCHEMBL14643309 0.77 MLKL (0.41) CYP1A2
SCHEMBL29587459 0.76 JAK1 (0.33) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL24642274 0.75 JAK1 (0.45) JAK1JAK2TYK2JAK3CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787807-B2 Small molecule inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2023-10-17 US disclosed
WO-2023115327-A1 PYRIDO RING COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION, AND APPLICATION 中国药科大学 2023-06-29 WO disclosed
US-20210340144-A1 SMALL MOLECULE INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 US disclosed
WO-2013007765-A1 FUSED TRICYCLIC COMPOUNDS FOR USE AS INHIBITORS OF JANUS KINASES F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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 (3 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-11787807-B2 Small molecule inhibitors of the JAK family of kinases JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885TYK2 5/4885
US-20210340144-A1 SMALL MOLECULE INHIBITORS OF THE JAK FAMILY OF KINASES JAK2, JAK1, JAK3 JAK1 2/4885JAK2 1/4885TYK2 5/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 JAK1 434/4885JAK2 122/4885TYK2 827/4885

“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.