SCHEMBL3602474

SCHEMBL3602474

Clc1cc(N2CCOCC2)nc(C=Cc2cccnc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 2/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 2/20 0.44
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
MEN1 O00255 1/20 0.42
NAMPT P43490 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
PDE10A Q9Y233 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTT P42858 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
AKT1 P31749 1/20 0.38
LRRK2 Q5S007 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL3602473 1.00 CYP2D6 (0.47) CYP2D6CYP1A2MAPTKMT2APIK3CA
SCHEMBL1029078 0.76 PIK3CA (0.63) CYP2D6CYP1A2MAPTKMT2APIK3CA
SCHEMBL1028449 0.74 CHEK1 (0.53) CYP2D6CYP1A2MAPTKMT2APIK3CA
SCHEMBL21464301 0.74 MAPT (0.51) CYP2D6CYP1A2MAPTKMT2AMEN1
SCHEMBL1376364 0.73 MAPT (0.48) CYP2D6CYP1A2MAPTKMT2APIK3CA
SCHEMBL23773637 0.73 MAPT (0.60) CYP2D6CYP1A2MAPTKMT2APIK3CB
SCHEMBL23773618 0.73 MAPT (0.60) CYP2D6CYP1A2MAPTKMT2APIK3CA
SCHEMBL3607575 0.72 PIK3CA (0.48) CYP2D6CYP1A2MAPTKMT2APIK3CA
SCHEMBL3595766 0.72 PIK3CA (0.51) CYP2D6CYP1A2MAPTKMT2APIK3CA
SCHEMBL10148186 0.72 AURKA (0.58) KMT2ALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
CN-101790525-A pharmaceutical compounds HOFFMANN LA ROCHE 2010-07-28 CN 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 CYP2D6 1107/4885CYP1A2 1185/4885MAPT 2195/4885

“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.