SCHEMBL4569402

SCHEMBL4569402

Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)nc(C(=O)N3C4CCC3COC4)c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 3/20 0.40
PIK3R1 P27986 4/20 0.36
PIK3CA P42336 4/20 0.36
PIK3CD O00329 11/20 0.35
PIK3CG P48736 8/20 0.35
PIK3CB P42338 2/20 0.33
LIMK2 P53671 1/20 0.32
ABCB11 O95342 1/20 0.32
TBXA2R P21731 1/20 0.32
HTR2A P28223 1/20 0.32
PDE3A Q14432 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL4569307 0.92 SOS1 (0.41) SOS1PIK3R1PIK3CAPIK3CDPIK3CG
SCHEMBL4569448 0.88 SOS1 (0.43) SOS1PIK3R1PIK3CAPIK3CDPIK3CG
SCHEMBL4569449 0.87 PIK3CG (0.45) SOS1PIK3R1PIK3CAPIK3CDPIK3CG
SCHEMBL4569418 0.86 PIK3CD (0.40) SOS1PIK3R1PIK3CAPIK3CDPIK3CG
SCHEMBL10281638 0.85 PIK3CD (0.39) SOS1PIK3R1PIK3CAPIK3CDPIK3CG
SCHEMBL4569398 0.85 MEN1 (0.39) SOS1PIK3R1PIK3CABTK
SCHEMBL16269985 0.82 PIK3CD (0.41) SOS1PIK3CDPIK3CGLIMK2BTK
SCHEMBL4569456 0.79 SOS1 (0.43) SOS1PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16269984 0.79 BTK (0.41) SOS1PIK3CDPIK3CGBTK
SCHEMBL4569455 0.78 SOS1 (0.43) SOS1PIK3CDPIK3CGBTK

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 SOS1 1223/4885PIK3R1 27/4885PIK3CA 1/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SOS1 1223/4885PIK3R1 27/4885PIK3CA 1/4885

“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.