SCHEMBL3610063

SCHEMBL3610063

NCCc1nc(C2C=CC=C3N=C(S(=O)(=O)c4ccccc4)C=C32)cc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.43
AKT1 P31749 5/20 0.43
MTOR P42345 4/20 0.42
PIK3C3 Q8NEB9 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CB P42338 2/20 0.35
PIK3CD O00329 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3610066 0.80 PIK3CA (0.38) PIK3CAAKT1MTORPIK3C3ALDH1A1
SCHEMBL3608929 0.65 HTR6 (0.49) PIK3CAAKT1MTORPIK3C3PIK3CB
SCHEMBL26027490 0.61 PIK3CA (0.58) PIK3CAAKT1MTORPIK3C3ALDH1A1
SCHEMBL3600627 0.61 MAPT (0.61) PIK3CAMEN1CYP1A2KMT2AKDM4E
SCHEMBL21464162 0.61 PIK3CA (1.00) PIK3CAAKT1MTORPIK3C3ALDH1A1
SCHEMBL29923078 0.61 PIK3CA (1.00) PIK3CAAKT1MTORPIK3C3ALDH1A1
SCHEMBL21464219 0.60 PIK3CA (1.00) PIK3CAAKT1MTORPIK3C3
SCHEMBL29923007 0.60 PIK3CA (1.00) PIK3CAAKT1MTORPIK3C3
SCHEMBL21464528 0.60 PIK3CA (0.61) PIK3CAAKT1MTORPIK3C3ALDH1A1
SCHEMBL30826822 0.60 PIK3CA (0.61) PIK3CAAKT1MTORPIK3C3ALDH1A1

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 1/4885AKT1 41/4885MTOR 14/4885

“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.