SCHEMBL12221791

SCHEMBL12221791

N#Cc1c(N)ncnc1NCc1nc2ccc(F)cn2c1-c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 14/20 0.68
▸ PIK3CG P48736 10/20 0.68
▸ PIK3R1 P27986 9/20 0.68
▸ PIK3CB P42338 9/20 0.68
▸ PIK3CA P42336 2/20 0.51
▸ PLAU P00749 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PIK3R2 O00459 1/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ DYRK1A Q13627 2/20 0.38

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
SCHEMBL12263414 0.89 PIK3CD (0.68) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2548473 0.82 PIK3CD (0.64) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2505314 0.81 PIK3CD (1.00) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2511207 0.71 PIK3CD (1.00) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2508335 0.71 PIK3CD (1.00) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2505115 0.70 PIK3CD (1.00) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2508106 0.70 PIK3CD (1.00) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL19006284 0.70 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2507074 0.69 PIK3CD (1.00) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL2508285 0.69 PIK3CD (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.

Send feedback