SCHEMBL4569474

SCHEMBL4569474

C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2c(C(=O)N2CCC(F)(F)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.48
PIK3R2 O00459 3/20 0.48
GRM4 Q14833 6/20 0.40
HTR1A P08908 2/20 0.39
ADRA1A P35348 2/20 0.39
DRD2 P14416 1/20 0.39
PIK3CG P48736 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
PKLR P30613 5/20 0.37

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
SCHEMBL4569478 0.91 PIK3CD (0.50) PIK3CDPIK3R2PIK3CGADORA2AADORA2B
SCHEMBL4569377 0.90 PIK3CD (0.49) PIK3CDPIK3R2GRM4PIK3CGADORA2A
SCHEMBL4569467 0.89 PIK3CD (0.48) PIK3CDPIK3R2GRM4PIK3CGADORA2A
SCHEMBL4569481 0.89 PIK3CD (0.48) PIK3CDPIK3R2PIK3CGADORA2AADORA2B
SCHEMBL4569479 0.87 PIK3CD (0.47) PIK3CDPIK3R2GRM4PIK3CGADORA2B
SCHEMBL4569473 0.85 PIK3CD (0.52) PIK3CDPIK3R2PIK3CG
SCHEMBL4569476 0.85 PIK3CD (0.48) PIK3CDPIK3R2PIK3CGADORA2AADORA2B
SCHEMBL4569471 0.85 PIK3CD (0.46) PIK3CDPIK3R2PIK3CGADORA2AADORA2B
SCHEMBL4569472 0.82 PIK3CD (0.47) PIK3CDPIK3R2PIK3CG
SCHEMBL4569313 0.81 AURKA (0.42) PIK3CDPIK3R2GRM4PIK3CGADORA2A

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 35/4885GRM4 3415/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885GRM4 3415/4885

“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.