SCHEMBL2272891

SCHEMBL2272891

c1ccc(CN2CCCC(n3nnc4cnc5[nH]ccc5c43)C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.72
JAK1 P23458 18/20 0.72
JAK3 P52333 16/20 0.72
TYK2 P29597 12/20 0.72
AURKA O14965 1/20 0.43
PRKCA P17252 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL2272884 1.00 JAK2 (0.72) JAK2JAK1JAK3TYK2AURKA
SCHEMBL12384985 0.88 JAK1 (0.70) JAK2JAK1JAK3TYK2
SCHEMBL1932355 0.85 JAK1 (0.69) JAK2JAK1JAK3TYK2
SCHEMBL2274489 0.83 JAK1 (1.00) JAK2JAK1JAK3TYK2AURKA
SCHEMBL12384916 0.83 JAK1 (1.00) JAK2JAK1JAK3TYK2AURKA
SCHEMBL2274497 0.83 JAK1 (1.00) JAK2JAK1JAK3TYK2AURKA
SCHEMBL10281488 0.81 JAK2 (0.72) JAK2JAK1JAK3TYK2AURKA
SCHEMBL12385240 0.81 JAK2 (0.79) JAK2JAK1JAK3TYK2AURKA
SCHEMBL2055073 0.79 JAK2 (0.66) JAK2JAK1JAK3TYK2
SCHEMBL12385299 0.79 JAK2 (0.67) JAK2JAK1JAK3TYK2AURKA

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 JAK2 122/4885JAK1 434/4885JAK3 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.