SCHEMBL2256807

SCHEMBL2256807

COc1cc(Nc2nc3c(-c4ccc(F)cc4Cl)cccn3n2)ccc1-c1ccnc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.50
PTK2 Q05397 15/20 0.50
JAK3 P52333 16/20 0.49
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48

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
SCHEMBL2227560 0.92 JAK2 (0.53) JAK2PTK2JAK3
SCHEMBL2252280 0.90 JAK2 (0.53) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2254537 0.87 JAK2 (0.49) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2255313 0.86 JAK2 (0.51) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2253755 0.86 JAK2 (0.51) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2285217 0.83 JAK2 (0.46) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2256152 0.82 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836905 0.81 JAK2 (0.46) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2255456 0.78 JAK2 (0.47) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2251346 0.76 PSEN1 (0.50) JAK2PTK2JAK3PSEN1PSEN2

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-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 US claimed
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
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
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 US 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 4637/4885PTK2 2927/4885JAK3 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.