SCHEMBL3610066

SCHEMBL3610066

NCCc1nc(C2C=CC=C3C2=CCN3S(=O)(=O)c2ccccc2)cc(N2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.38
MTOR P42345 4/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
AKT1 P31749 4/20 0.38
PIK3C3 Q8NEB9 3/20 0.36
PIK3CB P42338 3/20 0.35
PIK3CD O00329 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL3610063 0.80 PIK3CA (0.43) PIK3CAMTORALDH1A1KDM4ELMNA
SCHEMBL3608929 0.67 HTR6 (0.49) PIK3CAMTORAKT1PIK3C3PIK3CB
SCHEMBL3600627 0.61 MAPT (0.61) PIK3CAKDM4EHTTPIK3CBPIK3CD
SCHEMBL4791302 0.60 MTOR (0.64) PIK3CAMTORALDH1A1KDM4ELMNA
SCHEMBL26806885 0.59 MAPT (0.60) PIK3CAMTORALDH1A1KDM4ELMNA
SCHEMBL26027490 0.58 PIK3CA (0.58) PIK3CAMTORALDH1A1KDM4ELMNA
SCHEMBL1271595 0.57 POLB (0.79) PIK3CAMTORALDH1A1KDM4ELMNA
SCHEMBL3600075 0.57 MTOR (0.67) PIK3CAMTORALDH1A1KDM4ELMNA
SCHEMBL3603559 0.57 MTOR (0.70) PIK3CAMTORALDH1A1KDM4ELMNA
SCHEMBL1271730 0.57 MTOR (0.77) PIK3CAMTORALDH1A1KDM4ELMNA

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 1/4885MTOR 14/4885ALDH1A1 1923/4885

“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.