SCHEMBL4569414

SCHEMBL4569414

Cc1cccc2cc([C@H](C)Nc3ncnc4cccnc34)nc(OC3CCN(C(C)C)CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.39
PIK3R2 O00459 2/20 0.39
GPR119 Q8TDV5 1/20 0.34
NMT1 P30419 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
SOS1 Q07889 2/20 0.34
PIK3CG P48736 1/20 0.34
EGFR P00533 4/20 0.32
ERBB2 P04626 3/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
KCNH2 Q12809 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
SCHEMBL4569371 0.91 PIK3CD (0.47) PIK3CDPIK3R2PIK3CGEGFRERBB2
SCHEMBL4569411 0.86 PIK3CG (0.39) PIK3CDPIK3R2NMT1PIK3CGEGFR
SCHEMBL4569339 0.85 PIK3R1 (0.36) PIK3CDHRH3SOS1PIK3CG
SCHEMBL13065460 0.85 PIK3R1 (0.36) PIK3CDHRH3SOS1PIK3CG
SCHEMBL4569423 0.81 PIK3CD (0.47) PIK3CDPIK3R2GPR119PIK3CGEGFR
SCHEMBL4569412 0.80 PIK3CD (0.40) PIK3CDPIK3R2HRH3EGFRKCNH2
SCHEMBL14329153 0.78 PIK3R1 (0.36) PIK3CDSOS1PIK3CGEGFRERBB2
SCHEMBL14329156 0.78 EGFR (0.40) GPR119SOS1EGFR
SCHEMBL3698817 0.77 PIK3CD (0.38) PIK3CDPIK3R2PIK3CG
SCHEMBL3698809 0.77 PIK3CD (0.38) PIK3CDPIK3R2PIK3CG

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 35/4885GPR119 566/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885GPR119 566/4885

“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.