Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569339

SCHEMBL4569339

SCHEMBL4569339

Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)nc(OC3CCN(C(C)C)CC3)c12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 3/20 0.36
▸ PIK3CA P42336 3/20 0.36
▸ SOS1 Q07889 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ PIK3CD O00329 6/20 0.33
▸ SGK1 O00141 7/20 0.32
▸ PIK3CB P42338 2/20 0.31
▸ PIK3CG P48736 2/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SCN8A Q9UQD0 1/20 0.31
▸ SLC5A7 Q9GZV3 1/20 0.30

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
SCHEMBL13065460 1.00 PIK3R1 (0.36) PIK3R1PIK3CASOS1HRH3PIK3CD
SCHEMBL14329153 0.93 PIK3R1 (0.36) PIK3R1PIK3CASOS1PIK3CDPIK3CG
SCHEMBL3698817 0.91 PIK3CD (0.38) PIK3R1PIK3CAPIK3CDSGK1PIK3CB
SCHEMBL3698809 0.91 PIK3CD (0.38) PIK3R1PIK3CAPIK3CDSGK1PIK3CB
SCHEMBL14329192 0.91 PIK3CD (0.36) PIK3R1PIK3CAPIK3CDSGK1PIK3CB
SCHEMBL13064815 0.89 PIK3CD (0.38) PIK3R1PIK3CASOS1PIK3CDPIK3CB
SCHEMBL15888074 0.89 PIK3R1 (0.34) PIK3R1PIK3CAPIK3CD
SCHEMBL13064824 0.89 BTK (0.39) PIK3R1PIK3CASOS1
SCHEMBL14329214 0.89 PIK3R1 (0.37) PIK3R1PIK3CASOS1PIK3CD
SCHEMBL14329197 0.89 PIK3R1 (0.37) PIK3R1PIK3CASOS1PIK3CD

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 PIK3R1 27/4885PIK3CA 1/4885SOS1 1223/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3R1 27/4885PIK3CA 1/4885SOS1 1223/4885

“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.