SCHEMBL4569466

SCHEMBL4569466

C[C@H](Nc1ncnc2scnc12)c1cc2cccc(Cl)c2c(C(=O)N2CCNC(=O)C2)n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 14/20 0.51
PIK3CD O00329 13/20 0.51
PIK3CG P48736 2/20 0.44
NOTUM Q6P988 1/20 0.36
NTRK1 P04629 1/20 0.35
MAPK14 Q16539 1/20 0.35
HSP90AA1 P07900 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
SCHEMBL4569477 0.87 PIK3R2 (0.49) PIK3R2PIK3CDPIK3CG
SCHEMBL4569473 0.87 PIK3CD (0.52) PIK3R2PIK3CDPIK3CGNTRK1HSP90AA1
SCHEMBL4569385 0.86 PIK3R2 (0.48) PIK3R2PIK3CDPIK3CG
SCHEMBL4569476 0.85 PIK3CD (0.48) PIK3R2PIK3CDPIK3CG
SCHEMBL4569482 0.85 PIK3R2 (0.49) PIK3R2PIK3CDPIK3CG
SCHEMBL4569468 0.85 PIK3R2 (0.48) PIK3R2PIK3CDPIK3CG
SCHEMBL4569475 0.83 PIK3R2 (0.46) PIK3R2PIK3CDPIK3CG
SCHEMBL4569470 0.83 PIK3R2 (0.46) PIK3R2PIK3CDPIK3CG
SCHEMBL4569469 0.80 PIK3R2 (0.47) PIK3R2PIK3CDPIK3CG
SCHEMBL4569378 0.79 PIK3CD (0.49) PIK3R2PIK3CDPIK3CG

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 2/4885PIK3CG 7/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3R2 35/4885PIK3CD 2/4885PIK3CG 7/4885

“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.