SCHEMBL808091

SCHEMBL808091

CN(C)C(=O)CN1CCC(n2nnc3cnc4ccc(Cl)nc4c32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.47
MTOR P42345 6/20 0.47
IGF1R P08069 1/20 0.38
KCNH2 Q12809 1/20 0.38
MELK Q14680 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
PIM1 P11309 1/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL797023 0.80 PIK3CA (0.44) PIK3CAMTORMELKLMNASMN1; SMN2
SCHEMBL10070213 0.79 MELK (0.32) PIK3CAMTORMELK
SCHEMBL796236 0.79 PIK3CA (0.47) PIK3CAMTORIGF1RKCNH2CYP3A4
SCHEMBL15123321 0.79 PIK3CA (0.47) PIK3CAMTORIGF1RKCNH2CYP3A4
SCHEMBL796496 0.79 PIK3CA (0.47) PIK3CAMTORIGF1RKCNH2CYP3A4
SCHEMBL796730 0.78 PIK3CA (0.49) PIK3CAMTOR
SCHEMBL796631 0.77 GPR119 (0.47) PIK3CAMTORMEN1KMT2A
SCHEMBL15131794 0.77 MEN1 (0.38) PIK3CAMTORMELKJAK1MEN1
SCHEMBL796069 0.75 PIK3CA (0.38) PIK3CAMTORMELK
SCHEMBL15123534 0.75 PIK3CA (0.38) PIK3CAMTORMELK

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 7 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
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 1962/4885MTOR 4193/4885IGF1R 3970/4885

“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.