SCHEMBL2252811

SCHEMBL2252811

Nc1nc2c(C3=CCOCC3)cccn2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.50
NUDT1 P36639 1/20 0.48
JAK3 P52333 3/20 0.39
JAK1 P23458 1/20 0.39
CDC7 O00311 1/20 0.39
CDK2 P24941 1/20 0.39
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PDE8A O60658 1/20 0.35
MAPK14 Q16539 2/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
PIK3CA P42336 3/20 0.34
MTOR P42345 2/20 0.34
PTK2 Q05397 1/20 0.33

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
SCHEMBL2273140 0.77 CDC7 (0.40) CDC7CDK2PDCD1CD274MAPK14
Hydrochloric Acid SCHEMBL16553729 0.76 JAK2 (0.50) JAK2NUDT1JAK3JAK1
SCHEMBL16554303 0.76 JAK2 (0.50) JAK2NUDT1JAK3JAK1
SCHEMBL19220944 0.75 JAK2 (0.49) JAK2NUDT1JAK3JAK1
SCHEMBL12079212 0.75 JAK2 (0.52) JAK2NUDT1JAK3JAK1
SCHEMBL2270706 0.72 JAK2 (0.50) JAK2NUDT1JAK3JAK1
SCHEMBL18367046 0.69 JAK2 (0.77) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL8786339 0.69 ALDH1A1 (0.43) CDC7CDK2PDCD1CD274MAPK14
SCHEMBL2252442 0.68 PIK3CA (0.47) JAK2NUDT1JAK3PIK3CAMTOR
SCHEMBL16553842 0.68 JAK1 (0.70) JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531503-A1 GAMMA SECRETASE MODULATERS F. Hoffmann-La Roche AG (CH) 2012-12-12 EP disclosed
WO-2011092272-A1 GAMMA SECRETASE MODULATERS F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 WO disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 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-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B JAK2 4637/4885NUDT1 1834/4885JAK3 4543/4885

“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.