Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569418

SCHEMBL4569418

SCHEMBL4569418

Cc1cccc2cc([C@H](C)Nc3ncnc4cccnc34)nc(C(=O)N3C4CCC3COC4)c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 8/20 0.40
▸ SOS1 Q07889 3/20 0.40
▸ PIK3R2 O00459 2/20 0.38
▸ PIK3CG P48736 7/20 0.35
▸ CD274 Q9NZQ7 2/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31

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
SCHEMBL4569387 0.92 PIK3CD (0.48) PIK3CDSOS1PIK3R2PIK3CGPIK3R1
SCHEMBL4569447 0.87 PIK3CG (0.44) PIK3CDSOS1PIK3R2PIK3CG
SCHEMBL4569402 0.86 SOS1 (0.40) PIK3CDSOS1PIK3CGPIK3R1PIK3CA
SCHEMBL4569417 0.85 PIK3CD (0.41) PIK3CDSOS1PIK3R2ADORA2AADORA2B
SCHEMBL10281638 0.81 PIK3CD (0.39) PIK3CDSOS1PIK3R2PIK3CGPIK3R1
SCHEMBL4569307 0.78 SOS1 (0.41) PIK3CDSOS1PIK3R2PIK3CGPIK3R1
SCHEMBL4569378 0.77 PIK3CD (0.49) PIK3CDSOS1PIK3R2PIK3CGLRRK2
SCHEMBL16269985 0.77 PIK3CD (0.41) PIK3CDSOS1PIK3R2PIK3CG
SCHEMBL4569377 0.77 PIK3CD (0.49) PIK3CDSOS1PIK3R2PIK3CGADORA2A
SCHEMBL4569527 0.76 PIK3CD (0.46) PIK3CDPIK3R2PIK3CGADORA2AADORA2B

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-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
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 — — WO 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 PIK3CD 2/4885SOS1 1223/4885PIK3R2 35/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885SOS1 1223/4885PIK3R2 35/4885

“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.