Sugi Predict

Sugi Predict / Compounds / SCHEMBL796867

SCHEMBL796867

SCHEMBL796867

CC(C)(C#N)c1ccc(-c2nnc3cnc4ccc(-c5cnc(N)c(C(F)(F)F)c5)cc4n23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 8/20 0.43
▸ MAP3K12 Q12852 1/20 0.43
▸ PIK3CB P42338 10/20 0.40
▸ PRKDC P78527 9/20 0.40
▸ ATR Q13535 8/20 0.38
▸ ATRIP Q8WXE1 7/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ MTOR P42345 9/20 0.37
▸ ATM Q13315 5/20 0.37
▸ SERPINA2 P20848 5/20 0.37
▸ PIK3CD O00329 3/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ PIK3C3 Q8NEB9 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ PIK3C2A O00443 1/20 0.37
▸ PIK3C2B O00750 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ MET P08581 1/20 0.37

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
SCHEMBL17243665 0.91 PIK3CA (0.42) PIK3CAMAP3K12PIK3CBPRKDCATR
SCHEMBL15133610 0.89 PIK3CB (0.41) PIK3CAPIK3CBPRKDCATRATRIP
SCHEMBL15131800 0.89 PIK3CB (0.42) PIK3CAPIK3CBPRKDCATRATRIP
SCHEMBL15131811 0.87 MTOR (0.38) PIK3CAPIK3CBPRKDCATRATRIP
SCHEMBL807983 0.87 PIK3CA (0.43) PIK3CAPIK3CBPRKDCATRATRIP
SCHEMBL10070631 0.85 MTOR (0.38) PIK3CAMAP3K12PIK3CBPRKDCATR
SCHEMBL10070630 0.85 PIK3CA (0.46) PIK3CAMAP3K12PIK3CBPRKDCATR
SCHEMBL807989 0.85 PIK3CA (0.47) PIK3CAPIK3CBPRKDCATRATRIP
SCHEMBL15131796 0.85 MTOR (0.49) PIK3CAPIK3CBPRKDCATRATRIP
SCHEMBL10070628 0.85 PIK3CA (0.46) PIK3CAPIK3CBPRKDCATRATRIP

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 1962/4885MAP3K12 4755/4885PIK3CB 1750/4885

“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.