SCHEMBL3588013

SCHEMBL3588013

NC(Cc1cc(N2CCOCC2)nc(Cl)n1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 3/20 0.38
AKT1 P31749 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATR Q13535 1/20 0.38
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MTOR P42345 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3595762 0.84 CYP2D6 (0.47) PIK3CAPIK3CBPIK3CGPDE10ACYP2D6
SCHEMBL3614240 0.77 ATR (0.60) PIK3CAPIK3CBPIK3CGATRMTOR
SCHEMBL3588014 0.75 PIK3CA (0.51) PIK3CAPIK3CBCYP2D6CYP1A2MAPT
SCHEMBL3607289 0.75 PIK3CB (0.39) PIK3CAPIK3CBPIK3CGPDE10ACYP2D6
SCHEMBL3607291 0.74 CHRNB2 (0.44) PIK3CAPIK3CBALDH1A1KDM4ELMNA
SCHEMBL17859942 0.71 CYP1A2 (0.54) PIK3CBCYP2D6CYP1A2MAPTPOLB
SCHEMBL2493395 0.70 CYP1A2 (0.49) PIK3CBCYP2D6CYP1A2MAPTPOLB
SCHEMBL3938069 0.70 CYP1A2 (0.49) PIK3CAPIK3CBCYP2D6CYP1A2MAPT
SCHEMBL3554877 0.70 PIK3CB (0.57) PIK3CAPIK3CBCYP2D6CYP1A2HTT
SCHEMBL3592537 0.70 PIK3CB (0.46) PIK3CAPIK3CBAKT1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 PIK3CA 1/4885PIK3CB 9/4885PIK3CG 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.