SCHEMBL2226907

SCHEMBL2226907

C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1C1CCCOC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 1.00
JAK2 O60674 10/20 1.00
TYK2 P29597 5/20 1.00
JAK3 P52333 5/20 1.00
CYP3A4 P08684 2/20 0.67

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
SCHEMBL2283935 1.00 JAK1 (1.00) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2298433 1.00 JAK1 (1.00) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2292466 1.00 JAK1 (1.00) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2226924 1.00 JAK1 (1.00) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2226737 1.00 JAK1 (1.00) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL23192394 0.93 JAK1 (0.87) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL12385697 0.91 JAK1 (0.84) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2225527 0.90 JAK1 (0.98) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2295065 0.89 JAK1 (1.00) JAK1JAK2TYK2JAK3CYP3A4
SCHEMBL2225034 0.89 JAK1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP 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 (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-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.