Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569325

SCHEMBL4569325

SCHEMBL4569325

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(CC(=O)N2CCN(C)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 13/20 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
▸ PIK3R2 O00459 7/20 0.37
▸ ALK Q9UM73 2/20 0.37
▸ ERBB2 P04626 1/20 0.36
▸ BTK Q06187 2/20 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
SCHEMBL4569324 0.94 ALK (0.41) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL4569323 0.92 PIK3CD (0.41) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL4569329 0.89 ERBB2 (0.40) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL4569308 0.87 PIK3CD (0.41) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL14329208 0.85 PIK3CD (0.38) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL20961972 0.84 PIK3CD (0.37) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL4569332 0.83 PIK3CD (0.39) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL17913947 0.82 PIK3CD (0.39) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL3700003 0.82 PIK3CD (0.41) PIK3CDPIK3CGABCB11TBXA2RPIK3R1
SCHEMBL3700010 0.82 PIK3CD (0.41) PIK3CDPIK3CGABCB11TBXA2RPIK3R1

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 2/4885PIK3CG 7/4885ABCB11 3031/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3CG 7/4885ABCB11 3031/4885

“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.