Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569386

SCHEMBL4569386

SCHEMBL4569386

C[C@H](NC(=O)c1cnc2cccnn12)c1cc2cccc(Cl)c2c(C(=O)N2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ KCNK3 O14649 2/20 0.38
▸ MOK Q9UQ07 3/20 0.38
▸ PIK3CD O00329 2/20 0.37
▸ PIK3R1 P27986 2/20 0.37
▸ PIK3CG P48736 2/20 0.37
▸ PDE4B Q07343 7/20 0.37
▸ PDE4D Q08499 7/20 0.37
▸ PDE4A P27815 4/20 0.37
▸ PDE4C Q08493 4/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 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
SCHEMBL16269980 0.82 HTR2C (0.41) KCNK3MOKPIK3CDPIK3R1PIK3CG
SCHEMBL4569389 0.82 HTR2C (0.38) MOKPIK3CDPIK3R1HTR2CRORC
SCHEMBL4569381 0.81 PIK3R2 (0.49) MOKPIK3CDPIK3R1PIK3CGHTR2C
SCHEMBL14649477 0.81 MOK (0.37) MOKHTR2CRORCCNR1CNR2
SCHEMBL4569376 0.76 HTR2C (0.47) MOKHTR2CCNR1CNR2
SCHEMBL4569438 0.75 CNR1 (0.40) IRAK4MOKPIK3CDPIK3R1PIK3CG
SCHEMBL4569485 0.75 PIK3CD (0.39) MOKPIK3CDPIK3R1PIK3CGHTR2C
SCHEMBL4569377 0.74 PIK3CD (0.49) MOKPIK3CDPIK3CGRORC
SCHEMBL4569483 0.73 TLR8 (0.39) MOKPIK3CDPIK3R1PIK3CGRORC
SCHEMBL15306769 0.72 PIK3CD (0.66) PIK3CDPIK3R1PIK3CG

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 IRAK4 567/4885KCNK3 2104/4885MOK 119/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB IRAK4 567/4885KCNK3 2104/4885MOK 119/4885

“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.