SCHEMBL807985

SCHEMBL807985

N#Cc1cccc(-c2nnc3cnc4ccc(-c5ccc6nc(N)sc6c5)cc4n23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.45
PI4KA P42356 11/20 0.45
PI4KB Q9UBF8 11/20 0.45
PIK3CD O00329 10/20 0.44
PIK3CG P48736 9/20 0.44
PIK3CB P42338 8/20 0.44
PIP5K1C O60331 4/20 0.43
BACE1 P56817 1/20 0.41
QPCT Q16769 1/20 0.41
APP P05067 1/20 0.40
MAP4K4 O95819 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
FTO Q9C0B1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL15131809 0.87 PIK3CA (0.43) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL807826 0.82 PI4KA (0.45) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL15131803 0.81 MAP4K4 (0.44) PIK3CBQPCTMAP4K4ALDH1A1CYP3A4
SCHEMBL10070633 0.81 PI4KA (0.46) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL15131799 0.80 PI4KA (0.48) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL807982 0.79 MET (0.45) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL807817 0.78 PI4KA (0.52) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL807988 0.78 GRIN1 (0.42) PIK3CAPIK3CBMAP4K4CYP3A4
SCHEMBL3706737 0.70 PIK3CG (0.61) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL807983 0.69 PIK3CA (0.43) PIK3CAPI4KBPIK3CDPIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-9181264-B2 Fused heteroaryls and their uses HUTCHISON MEDIPHARMA LIMITED (CN) 2015-11-10 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 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-20130190307-A1 FUSED HETEROARYLS AND THEIR USES FARS2, TIAL1, DHFR PIK3CA 1962/4885PI4KA 2058/4885PI4KB 1421/4885

“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.