SCHEMBL3588014

SCHEMBL3588014

Clc1nc(CNCc2cccnc2)cc(N2CCOCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.51
PIK3CB P42338 3/20 0.48
PIK3CD O00329 1/20 0.48
RAD52 P43351 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EGLN1 Q9GZT9 1/20 0.44
CDK2 P24941 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
NAMPT P43490 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
CRHBP P24387 1/20 0.42

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
SCHEMBL3600948 0.88 PIK3CB (0.54) PIK3CAPIK3CBPIK3CDLMNAPKM
SCHEMBL3554877 0.83 PIK3CB (0.57) PIK3CAPIK3CBPIK3CDRAD52CYP1A2
SCHEMBL3595766 0.83 PIK3CA (0.51) PIK3CAPIK3CBPIK3CDRAD52CYP1A2
SCHEMBL3607291 0.82 CHRNB2 (0.44) PIK3CAPIK3CBPIK3CDRAD52CDK2
SCHEMBL3600101 0.80 PIK3CB (0.51) PIK3CAPIK3CBLMNAPKMTSHR
SCHEMBL3558618 0.78 PIK3CA (0.66) PIK3CAPIK3CBPIK3CDRAD52CYP1A2
SCHEMBL13406356 0.77 PIK3CA (0.57) PIK3CAPIK3CBPIK3CDRAD52
SCHEMBL3608310 0.77 PIK3CA (0.61) PIK3CAPIK3CBPIK3CD
SCHEMBL3588013 0.75 PIK3CA (0.40) PIK3CAPIK3CBCYP1A2CYP2D6CYP3A4
SCHEMBL3607310 0.75 LMNA (0.46) PIK3CAPIK3CBCYP1A2CYP2D6CYP3A4

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 PIK3CA 1/4885PIK3CB 9/4885PIK3CD 2/4885

“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.