Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569415

SCHEMBL4569415

SCHEMBL4569415

Cc1cccc2cc([C@H](C)Nc3ncnc4cccnc34)nc(N3CCN(C)CC3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.42
▸ PIK3R2 O00459 2/20 0.42
▸ ELANE P08246 2/20 0.42
▸ HRH4 Q9H3N8 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ PIK3CG P48736 1/20 0.34
▸ HTR3E A5X5Y0 2/20 0.34
▸ HTR3B O95264 2/20 0.34

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
SCHEMBL4569360 0.90 PIK3CD (0.51) PIK3CDPIK3R2HRH4ALDH1A1USP2
SCHEMBL4569488 0.86 PIK3CG (0.39) PIK3CDPIK3R2ELANEHRH4ALDH1A1
SCHEMBL4569372 0.84 JAK2 (0.39) PIK3CDHRH4ALDH1A1USP2TSHR
SCHEMBL13064809 0.84 JAK2 (0.39) PIK3CDHRH4ALDH1A1USP2TSHR
SCHEMBL4569412 0.79 PIK3CD (0.40) PIK3CDPIK3R2CYP3A4KDM4EHTR1A
SCHEMBL4569416 0.78 ELANE (0.41) PIK3CDPIK3R2ELANEALDH1A1USP2
SCHEMBL4569417 0.76 PIK3CD (0.41) PIK3CDPIK3R2ALDH1A1USP2MEN1
SCHEMBL4569414 0.76 PIK3CD (0.39) PIK3CDPIK3R2PIK3CG
SCHEMBL4569364 0.75 JAK2 (0.40) PIK3CDHRH4PIK3CG
SCHEMBL3700010 0.74 PIK3CD (0.41) PIK3CDPIK3R2HRH4PIK3CG

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 35/4885ELANE 1219/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885ELANE 1219/4885

“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.