SCHEMBL983541

SCHEMBL983541

CCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c3c(-c4cc(F)c(OC)cc4OCC4CC4)ncnc23)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.41
PIK3CA P42336 7/20 0.41
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3R1 P27986 2/20 0.38
MDM4 O15151 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM5A P29375 3/20 0.34
EPHX2 P34913 1/20 0.34
USP30 Q70CQ3 1/20 0.34
MAP3K6 O95382 1/20 0.34
MAP3K5 Q99683 1/20 0.34

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
SCHEMBL984164 0.97 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL983553 0.96 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL984636 0.96 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL981843 0.96 EPHX2 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL984720 0.94 MDM4 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL982545 0.94 MDM4 (0.37) PIK3CDPIK3CAPIK3CBPIK3CGMDM4
SCHEMBL985371 0.93 PIK3CD (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL984897 0.93 EPHX2 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL981875 0.93 MDM4 (0.39) PIK3CDPIK3CAMDM4KDM4EMEN1
SCHEMBL982325 0.92 MDM4 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A PIK3CD 806/4885PIK3CA 619/4885PIK3CB 965/4885

“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.