Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569343

SCHEMBL4569343

SCHEMBL4569343

C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2c(CCN2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 10/20 0.47
▸ PIK3R2 O00459 9/20 0.47
▸ PIK3CG P48736 2/20 0.41
▸ SRC P12931 4/20 0.38
▸ KDR P35968 4/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ EGFR P00533 3/20 0.37
▸ ERBB2 P04626 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL4569416 0.91 ELANE (0.41) PIK3CDPIK3R2PIK3CGSRCUSP2
SCHEMBL4569341 0.89 PIK3CD (0.45) PIK3CDPIK3R2PIK3CGUSP2CYP1A2
SCHEMBL4569410 0.86 IRAK4 (0.41) PIK3CDPIK3R2PIK3CGUSP2CYP1A2
SCHEMBL4569302 0.86 PIK3CD (0.47) PIK3CDPIK3R2PIK3CGUSP2CYP1A2
SCHEMBL14329176 0.86 PIK3CD (0.47) PIK3CDPIK3R2PIK3CGUSP2CYP1A2
SCHEMBL3693360 0.85 PIK3CD (0.47) PIK3CDPIK3R2PIK3CGUSP2CYP1A2
SCHEMBL3693362 0.85 PIK3CD (0.47) PIK3CDPIK3R2PIK3CGUSP2CYP1A2
SCHEMBL4569377 0.81 PIK3CD (0.49) PIK3CDPIK3R2PIK3CGEGFRERBB2
SCHEMBL16269981 0.80 PIK3CD (0.38) PIK3CDPIK3R2PIK3CGSRCKDR
SCHEMBL4569368 0.80 PIK3CD (0.48) PIK3CDPIK3R2PIK3CGSRCKDR

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 2/4885PIK3R2 35/4885PIK3CG 7/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885PIK3CG 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.