SCHEMBL796496

SCHEMBL796496

C[C@@H](O)C(=O)N1CCC(n2nnc3cnc4ccc(Cl)nc4c32)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.47
MTOR P42345 11/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CG P48736 1/20 0.47
RAF1 P04049 4/20 0.38
MAP2K1 Q02750 4/20 0.38
IGF1R P08069 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 2/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK1 P28482 1/20 0.37
CDK8 P49336 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
ROCK2 O75116 1/20 0.37
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL796236 1.00 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CGRAF1
SCHEMBL15123321 1.00 PIK3CA (0.47) PIK3CAMTORPIK3CDPIK3CGRAF1
SCHEMBL797023 0.93 PIK3CA (0.44) PIK3CAMTORPIK3CDPIK3CGALDH1A1
SCHEMBL796069 0.88 PIK3CA (0.38) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL15123534 0.88 PIK3CA (0.38) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL15131761 0.83 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL796631 0.83 GPR119 (0.47) PIK3CAMTORPIK3CGUSP2
SCHEMBL15131763 0.81 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL17243663 0.81 MTOR (0.65) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL10070213 0.81 MELK (0.32) PIK3CAMTORALDH1A1USP2

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 8 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

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 4193/4885PIK3CD 2795/4885

“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.