SCHEMBL796631

SCHEMBL796631

CC(C)(C)OC(=O)N1CCC(n2nnc3cnc4ccc(Cl)nc4c32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.47
NR3C1 P04150 5/20 0.43
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HCAR1 Q9BXC0 1/20 0.41
TNF P01375 1/20 0.40
LITAF Q99732 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
MAP4K4 O95819 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 1/20 0.40
PIK3CG P48736 1/20 0.39
ATR Q13535 1/20 0.39
AURKB Q96GD4 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
SCHEMBL10070226 0.84 HCAR1 (0.52) GPR119NR3C1PIK3CAMTORMEN1
SCHEMBL797023 0.83 PIK3CA (0.44) PIK3CAMTORMAP4K4USP2PIK3CG
SCHEMBL15131847 0.83 PIK3CA (0.48) NR3C1PIK3CAMTORMEN1KMT2A
SCHEMBL15123321 0.83 PIK3CA (0.47) PIK3CAMTORUSP2PIK3CG
SCHEMBL796236 0.83 PIK3CA (0.47) PIK3CAMTORUSP2PIK3CG
SCHEMBL796496 0.83 PIK3CA (0.47) PIK3CAMTORUSP2PIK3CG
SCHEMBL2281782 0.81 PIK3CA (0.49) GPR119PIK3CAMTORHCAR1TNF
SCHEMBL796069 0.81 PIK3CA (0.38) PIK3CAMTORPIK3CG
SCHEMBL15123534 0.81 PIK3CA (0.38) PIK3CAMTORPIK3CG
SCHEMBL2277687 0.80 PIK3CA (0.65) PIK3CAMTOR

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 9 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-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
US-20130190307-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-25 US disclosed
EP-2616468-A1 FUSED HETEROARYLS AND THEIR USES Hutchison Medipharma Limited (CN) 2013-07-24 EP disclosed
WO-2012034526-A1 FUSED HETEROARYLS AND THEIR USES HUTCHISON MEDIPHARMA LIMITED (CN) 2012-03-22 WO 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 GPR119 2792/4885NR3C1 2531/4885PIK3CA 1962/4885

“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.