SCHEMBL4569434

SCHEMBL4569434

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(-c3cnn(C)c3)c2c(C(=O)N2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.41
LRRK2 Q5S007 2/20 0.40
CCNC P24863 3/20 0.38
CDK8 P49336 3/20 0.38
PDPK1 O15530 1/20 0.37
RPS6KB1 P23443 1/20 0.37
PIK3CD O00329 2/20 0.37
PIK3R2 O00459 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3R5 Q8WYR1 1/20 0.37
PIK3R3 Q92569 1/20 0.37
PLK4 O00444 1/20 0.37
JAK2 O60674 1/20 0.37
MAP4K4 O95819 1/20 0.37
ROS1 P08922 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
MARK3 P27448 1/20 0.37
FLT4 P35916 1/20 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
SCHEMBL17913949 0.89 SOS1 (0.39) PIK3CGCCNCCDK8PDPK1RPS6KB1
SCHEMBL5019562 0.87 PIK3CG (0.39) PIK3CGLRRK2PDPK1RPS6KB1PIK3CD
SCHEMBL4569435 0.87 PIK3CG (0.39) PIK3CGCCNCCDK8PDPK1RPS6KB1
SCHEMBL4569449 0.87 PIK3CG (0.45) PIK3CGLRRK2PDPK1RPS6KB1PIK3CD
SCHEMBL4569398 0.86 MEN1 (0.39) PIK3CAPLK4JAK2MAP4K4ROS1
SCHEMBL4569312 0.86 PIK3CD (0.41) PIK3CGPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL4569409 0.85 IRAK4 (0.41) PIK3CGLRRK2PDPK1PIK3CDPIK3R2
SCHEMBL4569421 0.83 PIK3CG (0.44) PIK3CGLRRK2PDPK1RPS6KB1PIK3CD
SCHEMBL4569441 0.82 PIK3CG (0.42) PIK3CGLRRK2PDPK1RPS6KB1PIK3CD
SCHEMBL4569395 0.81 LRRK2 (0.41) PIK3CGLRRK2PDPK1RPS6KB1PIK3CD

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 PIK3CG 7/4885LRRK2 549/4885CCNC 384/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CG 7/4885LRRK2 549/4885CCNC 384/4885

“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.