SCHEMBL2505545

SCHEMBL2505545

C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccnc2n1-c1cc(F)cc(F)c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.71
PIK3CG P48736 16/20 0.71
PIK3R1 P27986 15/20 0.71
PIK3CB P42338 12/20 0.71
PIK3CA P42336 12/20 0.64

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
SCHEMBL2505749 1.00 PIK3CD (0.71) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2505791 1.00 PIK3CD (0.71) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL13505537 0.93 PIK3CD (0.75) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11903323 0.89 PIK3CG (0.67) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL12221755 0.89 PIK3CG (0.55) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11903344 0.89 PIK3CG (0.67) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL12265560 0.89 PIK3CG (0.55) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL11901825 0.89 PIK3CG (0.67) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL13506501 0.86 PIK3CD (0.61) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL13506491 0.86 PIK3CD (0.71) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA

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-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US claimed
CN-103221403-A Heterocyclic compounds and their use AMGEN INC 2013-07-24 CN claimed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US claimed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
WO-2012146667-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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 (1 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3CG 54/4885PIK3R1 48/4885

“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.