SCHEMBL4569478

SCHEMBL4569478

C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2c(C(=O)N2CCCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.50
PIK3R2 O00459 7/20 0.50
ADORA2A P29274 7/20 0.40
ADORA3 P0DMS8 4/20 0.40
ADORA1 P30542 2/20 0.40
PIK3CG P48736 2/20 0.40
ADORA2B P29275 1/20 0.39
PIK3R1 P27986 1/20 0.37
CCKBR P32239 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PIK3CB P42338 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
SCHEMBL4569479 0.92 PIK3CD (0.47) PIK3CDPIK3R2PIK3CGADORA2BCCKBR
SCHEMBL4569377 0.92 PIK3CD (0.49) PIK3CDPIK3R2ADORA2APIK3CGCCKBR
SCHEMBL4569467 0.91 PIK3CD (0.48) PIK3CDPIK3R2ADORA2AADORA3ADORA1
SCHEMBL4569481 0.91 PIK3CD (0.48) PIK3CDPIK3R2ADORA2AADORA3PIK3CG
SCHEMBL4569474 0.91 PIK3CD (0.48) PIK3CDPIK3R2ADORA2APIK3CGADORA2B
SCHEMBL4569473 0.88 PIK3CD (0.52) PIK3CDPIK3R2PIK3CGPIK3R1PIK3CB
SCHEMBL4569471 0.87 PIK3CD (0.46) PIK3CDPIK3R2ADORA2APIK3CGADORA2B
SCHEMBL4569477 0.85 PIK3R2 (0.49) PIK3CDPIK3R2ADORA2AADORA3ADORA1
SCHEMBL4569310 0.84 PIK3CD (0.41) PIK3CDPIK3R2ADORA2AADORA3ADORA1
SCHEMBL4569472 0.84 PIK3CD (0.47) PIK3CDPIK3R2PIK3CGPIK3R1PIK3CB

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 35/4885ADORA2A 1165/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885ADORA2A 1165/4885

“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.