SCHEMBL2273140

SCHEMBL2273140

Cc1cc(C2=CCOCC2)c2nc(N)nn2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.40
CDK2 P24941 1/20 0.40
SOS1 Q07889 1/20 0.34
MAPK14 Q16539 6/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PIK3CA P42336 7/20 0.33
MTOR P42345 5/20 0.33
NTRK1 P04629 1/20 0.32
ALK Q9UM73 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
SUV39H2 Q9H5I1 1/20 0.31

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
SCHEMBL2252811 0.77 JAK2 (0.50) CDC7CDK2MAPK14PIK3CAMTOR
SCHEMBL2254096 0.71 CFTR (0.42)
SCHEMBL2270828 0.70 TAF1 (0.35)
SCHEMBL2254487 0.69 PDK4 (0.47)
SCHEMBL2273504 0.69 JAK2 (0.46)
SCHEMBL2251336 0.67 JAK2 (0.43) PIK3CA
SCHEMBL2253478 0.66 ALDH1A1 (0.42) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2251355 0.66 ALDH1A1 (0.35) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2253291 0.65 TLR8 (0.39) PDE3BPDE3A
SCHEMBL2250225 0.65 F2RL3 (0.38) PIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 CDC7 4352/4885CDK2 2991/4885SOS1 3890/4885

“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.