SCHEMBL4569313

SCHEMBL4569313

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(C(=O)N2CCC(F)(F)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
PIK3CD O00329 9/20 0.40
PIK3R1 P27986 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
ABCB11 O95342 1/20 0.40
TBXA2R P21731 1/20 0.40
HTR2A P28223 1/20 0.40
PDE3A Q14432 1/20 0.40
GRM4 Q14833 4/20 0.37
PIK3R2 O00459 7/20 0.35
NR3C1 P04150 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4569315 0.94 PIK3CD (0.41) AURKARPS6KB1ADORA2AADORA2BPIK3CD
SCHEMBL4569310 0.89 PIK3CD (0.41) ADORA2AADORA2BPIK3CDPIK3R1PIK3CA
SCHEMBL4569318 0.89 PIK3CD (0.41) ADORA2AADORA2BPIK3CDPIK3R1PIK3CA
SCHEMBL4572208 0.88 PIK3CD (0.43) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4569308 0.88 PIK3CD (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4569322 0.87 PIK3CD (0.40) ADORA2AADORA2BPIK3CDPIK3R1PIK3CA
SCHEMBL4569312 0.87 PIK3CD (0.41) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4569316 0.86 PIK3CD (0.41) ADORA2AADORA2BPIK3CDPIK3R1PIK3CA
SCHEMBL4569309 0.84 PIK3CD (0.38) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL4569314 0.84 PIK3CD (0.38) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG

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 AURKA 523/4885RPS6KB1 197/4885ADORA2A 1165/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB AURKA 523/4885RPS6KB1 197/4885ADORA2A 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.