Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569346

SCHEMBL4569346

SCHEMBL4569346

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(C(=O)NC2CCC(O)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.40
▸ PIK3CD O00329 3/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ PIK3R2 O00459 2/20 0.39
▸ ABCB11 O95342 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ADORA2A P29274 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
SCHEMBL4569317 0.94 PIK3R2 (0.39) BTKPIK3CDPIK3CGPIK3R2ABCB11
SCHEMBL4569333 0.92 BTK (0.41) BTKPIK3CDPIK3CGPIK3R2ABCB11
SCHEMBL4569462 0.86 PIK3R2 (0.47) BTKPIK3CDPIK3CGPIK3R2BRD4
SCHEMBL4569322 0.86 PIK3CD (0.40) PIK3CDPIK3CGPIK3R2ABCB11TBXA2R
SCHEMBL4569316 0.85 PIK3CD (0.41) BTKPIK3CDPIK3CGPIK3R2ABCB11
SCHEMBL4569319 0.84 PIK3CD (0.44) PIK3CDPIK3CGPIK3R2ABCB11TBXA2R
SCHEMBL4569320 0.82 PIK3CD (0.42) PIK3CDPIK3CGPIK3R2ABCB11TBXA2R
SCHEMBL4569318 0.81 PIK3CD (0.41) PIK3CDPIK3CGPIK3R2ABCB11TBXA2R
SCHEMBL4569310 0.81 PIK3CD (0.41) PIK3CDPIK3CGPIK3R2ABCB11TBXA2R
SCHEMBL4569311 0.81 BTK (0.41) BTKPIK3CDPIK3CGPIK3R2ABCB11

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 BTK 81/4885PIK3CD 2/4885PIK3CG 7/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB BTK 81/4885PIK3CD 2/4885PIK3CG 7/4885

“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.