SCHEMBL3596231

SCHEMBL3596231

Clc1nc(CNCCc2c[nH]cn2)cc(N2CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
PIK3CB P42338 10/20 0.37
PIK3CA P42336 10/20 0.37
KMT2A Q03164 2/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
POLB P06746 1/20 0.34
PIK3CG P48736 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3607310 0.81 LMNA (0.46) CYP1A2CYP2D6MAPTPIK3CBPIK3CA
SCHEMBL3600101 0.79 PIK3CB (0.51) PIK3CBPIK3CAKMT2ALMNAHTT
SCHEMBL3604776 0.77 ATR (0.59) PIK3CBPIK3CAPIK3CG
SCHEMBL3605489 0.77 ALDH1A1 (0.43) CYP1A2CYP2D6MAPTPIK3CBPIK3CA
SCHEMBL3600948 0.73 PIK3CB (0.54) PIK3CBPIK3CAKMT2ALMNAHTT
SCHEMBL17859942 0.71 CYP1A2 (0.54) CYP1A2CYP2D6MAPTPIK3CBKMT2A
SCHEMBL12485821 0.70 KMT2A (0.47) CYP1A2CYP2D6MAPTKMT2APOLB
SCHEMBL17654953 0.70 EPHX2 (0.33) CYP1A2CYP2D6
SCHEMBL3938069 0.70 CYP1A2 (0.49) CYP1A2CYP2D6MAPTPIK3CBPIK3CA
SCHEMBL2493395 0.70 CYP1A2 (0.49) CYP1A2CYP2D6MAPTPIK3CBKMT2A

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 CYP1A2 1185/4885CYP2D6 1107/4885MAPT 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.