Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569317

SCHEMBL4569317

SCHEMBL4569317

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(C(=O)NC2CCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3R2 O00459 4/20 0.39
▸ ADORA3 P0DMS8 4/20 0.39
▸ ADORA2A P29274 4/20 0.39
▸ PIK3CD O00329 4/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ BTK Q06187 6/20 0.39
▸ ADORA2B P29275 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
SCHEMBL4569346 0.94 BTK (0.40) PIK3R2ADORA2APIK3CDPIK3CGABCB11
SCHEMBL4569333 0.93 BTK (0.41) PIK3R2PIK3CDPIK3CGABCB11TBXA2R
SCHEMBL4569319 0.84 PIK3CD (0.44) PIK3R2PIK3CDPIK3CGABCB11TBXA2R
SCHEMBL4569318 0.84 PIK3CD (0.41) PIK3R2ADORA3ADORA2APIK3CDADORA1
SCHEMBL4569310 0.84 PIK3CD (0.41) PIK3R2ADORA3ADORA2APIK3CDADORA1
SCHEMBL4569459 0.83 PIK3R2 (0.48) PIK3R2ADORA3ADORA2APIK3CDADORA1
SCHEMBL4569322 0.83 PIK3CD (0.40) PIK3R2ADORA3ADORA2APIK3CDPIK3CG
SCHEMBL4569316 0.82 PIK3CD (0.41) PIK3R2ADORA3ADORA2APIK3CDADORA1
SCHEMBL4569320 0.82 PIK3CD (0.42) PIK3R2ADORA2APIK3CDPIK3CGABCB11
SCHEMBL4569311 0.81 BTK (0.41) PIK3R2PIK3CDPIK3CGABCB11TBXA2R

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 PIK3R2 35/4885ADORA3 1676/4885ADORA2A 1165/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3R2 35/4885ADORA3 1676/4885ADORA2A 1165/4885

“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.