SCHEMBL4178528

SCHEMBL4178528

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(-c3ccccn3)c2nc1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.53
PIK3CG P48736 5/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3R2 O00459 1/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AURKB Q96GD4 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
SCHEMBL23891075 0.91 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL4566190 0.90 PIK3CD (0.67) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL4174170 0.90 PIK3CD (0.67) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL4173756 0.87 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL27781218 0.87 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL17492249 0.87 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL22678390 0.87 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBAURKA
SCHEMBL4174004 0.87 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL4177529 0.83 PIK3CG (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2
SCHEMBL20072403 0.83 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R2

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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
EP-2137186-B1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2016-01-27 EP disclosed
US-20150045361-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2015-02-12 US disclosed
US-8901135-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-12-02 US disclosed
US-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 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 (5 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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3CG 54/4885PIK3CA 26/4885
US-20090137581-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3CG 54/4885PIK3CA 26/4885
US-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3CG 54/4885PIK3CA 26/4885
US-20150045361-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3CG 54/4885PIK3CA 26/4885
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885PIK3CG 54/4885PIK3CA 26/4885

“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.