SCHEMBL2291396

SCHEMBL2291396

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](N(c2c(N)cnc3[nH]ccc23)S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.49
JAK2 O60674 8/20 0.44
JAK3 P52333 4/20 0.44
TYK2 P29597 4/20 0.44
CCR5 P51681 1/20 0.38
BTK Q06187 2/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37

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
SCHEMBL2293610 1.00 JAK1 (0.49) JAK1JAK2JAK3TYK2CCR5
SCHEMBL2277845 1.00 JAK1 (0.49) JAK1JAK2JAK3TYK2CCR5
SCHEMBL2273150 0.96 JAK1 (0.49) JAK1JAK2JAK3TYK2CCR5
SCHEMBL2297227 0.88 JAK1 (0.46) JAK1JAK2JAK3TYK2CCR5
SCHEMBL2297921 0.88 JAK1 (0.46) JAK1JAK2JAK3TYK2CCR5
SCHEMBL2290091 0.88 JAK1 (0.46) JAK1JAK2JAK3TYK2CCR5
SCHEMBL2285755 0.88 JAK1 (0.46) JAK1JAK2JAK3TYK2CCR5
SCHEMBL9959458 0.83 JAK1 (0.47) JAK1JAK2JAK3TYK2CCR5
SCHEMBL2275417 0.83 JAK1 (0.48) JAK1JAK2JAK3TYK2
SCHEMBL2274218 0.82 JAK1 (0.49) JAK1JAK2JAK3TYK2

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 2 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US 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.