SCHEMBL4569465

SCHEMBL4569465

C[C@H](Nc1ncnc2scnc12)c1cc2cccc(Cl)c2c(C(=O)NCC2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 12/20 0.45
PIK3CD O00329 10/20 0.45
ADORA2A P29274 3/20 0.43
ADORA2B P29275 3/20 0.43
PIK3CG P48736 2/20 0.43
CNR2 P34972 3/20 0.39
CNR1 P21554 1/20 0.38
IL1B P01584 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL4569400 0.89 PIK3R2 (0.47) PIK3R2PIK3CDADORA2APIK3CGCNR2
SCHEMBL4569460 0.86 PIK3R2 (0.46) PIK3R2PIK3CDADORA2AADORA2BPIK3CG
SCHEMBL4569459 0.83 PIK3R2 (0.48) PIK3R2PIK3CDADORA2AADORA2BPIK3CG
SCHEMBL4569385 0.83 PIK3R2 (0.48) PIK3R2PIK3CDPIK3CG
SCHEMBL4569462 0.82 PIK3R2 (0.47) PIK3R2PIK3CDADORA2APIK3CG
SCHEMBL4572195 0.81 PIK3CD (0.55) PIK3R2PIK3CDPIK3CG
SCHEMBL4569458 0.81 PIK3CD (0.48) PIK3R2PIK3CDPIK3CG
SCHEMBL4569378 0.81 PIK3CD (0.49) PIK3R2PIK3CDPIK3CG
SCHEMBL4569461 0.81 PIK3R2 (0.46) PIK3R2PIK3CDPIK3CG
SCHEMBL4569475 0.80 PIK3R2 (0.46) PIK3R2PIK3CDADORA2BPIK3CG

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