Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569407

SCHEMBL4569407

SCHEMBL4569407

CC(C)N1CCC(Oc2nc([C@H](C)Nc3ncnc4[nH]cnc34)cc3cccc(-c4cnn(C)c4)c23)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 5/20 0.40
▸ WNT1 P04628 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ TTK P33981 1/20 0.35
▸ JAK3 P52333 1/20 0.34
▸ LRRK2 Q5S007 6/20 0.34
▸ PIK3CD O00329 3/20 0.34
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ IRAK1 P51617 1/20 0.33

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
SCHEMBL4569411 0.87 PIK3CG (0.39) PIK3CGWNT1GSK3BDYRK1ATTK
SCHEMBL13065460 0.86 PIK3R1 (0.36) PIK3CGPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL4569339 0.86 PIK3R1 (0.36) PIK3CGPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3698809 0.85 PIK3CD (0.38) PIK3CGPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL3698817 0.85 PIK3CD (0.38) PIK3CGPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL4569404 0.83 PIK3CG (0.38) PIK3CGGSK3BDYRK1AJAK3LRRK2
SCHEMBL4569421 0.83 PIK3CG (0.44) PIK3CGTTKLRRK2PIK3CDPIK3R1
SCHEMBL13065461 0.82 HRH3 (0.34) PIK3CD
SCHEMBL4569441 0.82 PIK3CG (0.42) PIK3CGTTKLRRK2PIK3CDPIK3R1
SCHEMBL4569395 0.81 LRRK2 (0.41) PIK3CGJAK3LRRK2PIK3CDPIK3R1

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-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 — — US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 — — US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 — — US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 — — US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 — — US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 — — US 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 (2 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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885WNT1 2056/4885GSK3B 92/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885WNT1 2056/4885GSK3B 92/4885

“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.