SCHEMBL2269990

SCHEMBL2269990

Cc1cc(C2=CCN(C(=O)O)CC2)c2nc(N)nn2c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
JAK1 P23458 16/20 0.34
JAK2 O60674 8/20 0.34
ATR Q13535 1/20 0.33
MAPT P10636 1/20 0.33
QDPR P09417 1/20 0.32

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
SCHEMBL2254487 0.85 PDK4 (0.47) JAK1
SCHEMBL2273140 0.74 CDC7 (0.40)
SCHEMBL2275585 0.73 JAK1 (0.37) JAK1JAK2
SCHEMBL23536398 0.72 SHMT2 (0.35) ATRQDPR
SCHEMBL1937547 0.70 GABRP (0.46) MAPTQDPR
SCHEMBL18186201 0.69 MAPT (0.40) LMNAMAPTQDPR
SCHEMBL28945927 0.69 JAK1 (0.39) JAK1
SCHEMBL28996392 0.69 MAPT (0.42) USP2LMNAHPGDHTTMAPT
SCHEMBL2273504 0.68 JAK2 (0.46) HPGDJAK2MAPT
SCHEMBL16553643 0.68 PDK4 (0.54) JAK1JAK2

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-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US 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 USP2 1159/4885LMNA 453/4885HPGD 170/4885

“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.