SCHEMBL3607289

SCHEMBL3607289

CC(N)(Cc1cc(N2CCOCC2)nc(Cl)n1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 3/20 0.39
PIK3CA P42336 3/20 0.39
PIK3CG P48736 2/20 0.39
KCNA5 P22460 3/20 0.38
KCNH2 Q12809 3/20 0.38
PDE10A Q9Y233 2/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.37
AKT1 P31749 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
LRRK2 Q5S007 1/20 0.37
ATR Q13535 1/20 0.36

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
SCHEMBL3599845 0.84 CYP1A2 (0.44) PIK3CBPIK3CAPIK3CGKCNA5KCNH2
SCHEMBL1181982 0.80 PIK3CA (0.49) PIK3CBPIK3CAPIK3CGPIK3CD
SCHEMBL3596472 0.78 ATR (0.61) PIK3CBPIK3CAPIK3CGPIK3CDATR
SCHEMBL3596948 0.76 ATR (0.51) PIK3CAPIK3CDATR
SCHEMBL3591060 0.76 PIK3CD (0.47) PIK3CBPIK3CAPIK3CGPIK3CDATR
SCHEMBL3588013 0.75 PIK3CA (0.40) PIK3CBPIK3CAPIK3CGPDE10ALMNA
SCHEMBL3607291 0.75 CHRNB2 (0.44) PIK3CBPIK3CALMNAALDH1A1HTT
SCHEMBL3599561 0.74 ATR (0.53) PIK3CAATR
SCHEMBL3588014 0.74 PIK3CA (0.51) PIK3CBPIK3CALMNAALDH1A1HTT
SCHEMBL17859942 0.69 CYP1A2 (0.54) PIK3CBLMNAALDH1A1HTTL3MBTL1

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
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 PIK3CB 9/4885PIK3CA 1/4885PIK3CG 10/4885

“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.