SCHEMBL2275932

SCHEMBL2275932

N#CCC(=O)N1CCC[C@@H](n2cnc3cnc4[nH]ccc4c32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 18/20 1.00
JAK2 O60674 13/20 1.00
JAK3 P52333 13/20 1.00
TYK2 P29597 7/20 1.00
MAP3K19 Q56UN5 1/20 0.60
BMP2K Q9NSY1 1/20 0.60
AURKA O14965 1/20 0.59
PRKCA P17252 1/20 0.59
KDR P35968 1/20 0.59

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
SCHEMBL2272654 1.00 JAK1 (1.00) JAK1JAK2JAK3TYK2MAP3K19
SCHEMBL2290021 0.94 JAK1 (0.90) JAK1JAK2JAK3TYK2
SCHEMBL2290016 0.94 JAK1 (0.90) JAK1JAK2JAK3TYK2
SCHEMBL2293255 0.93 JAK1 (0.93) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2295305 0.91 JAK1 (0.82) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2294614 0.89 JAK1 (1.00) JAK1JAK2JAK3TYK2AURKA
SCHEMBL12385222 0.87 JAK1 (0.77) JAK1JAK2JAK3TYK2AURKA
SCHEMBL9953450 0.86 JAK2 (0.75) JAK1JAK2JAK3TYK2MAP3K19
SCHEMBL10099373 0.85 JAK3 (0.75) JAK1JAK2JAK3TYK2MAP3K19
SCHEMBL2290874 0.85 JAK1 (0.81) JAK1JAK2JAK3TYK2AURKA

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 7 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
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
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
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 122/4885JAK3 780/4885

“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.