SCHEMBL3597671

SCHEMBL3597671

CS(=O)(=O)N(Cc1cccnc1)Cc1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.45
PIK3CD O00329 1/20 0.45
NAPEPLD Q6IQ20 1/20 0.41
PIK3CA P42336 5/20 0.41
AKT1 P31749 2/20 0.40
NAMPT P43490 2/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PIK3CG P48736 1/20 0.39
RAD52 P43351 1/20 0.39
PDK1 Q15118 1/20 0.39
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
SCHEMBL3595795 0.85 CHRNB2 (0.44) PIK3CBPIK3CDNAPEPLDPIK3CAKMT2A
SCHEMBL13119756 0.81 KDM4E (0.52) PIK3CBPIK3CDNAPEPLDPIK3CAAKT1
SCHEMBL3607575 0.80 PIK3CA (0.48) PIK3CBPIK3CDNAPEPLDPIK3CAKMT2A
SCHEMBL3606859 0.79 ATR (0.52) PIK3CDPIK3CAMTOR
SCHEMBL3595766 0.78 PIK3CA (0.51) PIK3CBPIK3CDPIK3CANAMPTKMT2A
SCHEMBL3591824 0.78 PIK3CA (0.46) PIK3CBPIK3CDPIK3CAAKT1KMT2A
SCHEMBL3558618 0.73 PIK3CA (0.66) PIK3CBPIK3CDPIK3CACYP1A2CYP2D6
SCHEMBL3607291 0.73 CHRNB2 (0.44) PIK3CBPIK3CDNAPEPLDPIK3CAKDM4E
SCHEMBL3595762 0.72 CYP2D6 (0.47) PIK3CBPIK3CAAKT1KMT2APOLB
SCHEMBL3599845 0.71 CYP1A2 (0.44) PIK3CBPIK3CDPIK3CAAKT1KMT2A

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
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US 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 9/4885PIK3CD 2/4885NAPEPLD 3438/4885

“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.