SCHEMBL18188786

SCHEMBL18188786

CCC(c1nc2cccc(C)c2c(=O)n1C1CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.39
PIK3CG P48736 3/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3R2 O00459 2/20 0.37
OGFRL1 Q5TC84 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 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
SCHEMBL18188785 1.00 PIK3CD (0.39) PIK3CDPIK3CGPIK3R1PIK3R2OGFRL1
SCHEMBL18188757 0.90 PIK3CD (0.48) PIK3CDPIK3CGPIK3R1OGFRL1
SCHEMBL16583453 0.90 PIK3CD (0.45) PIK3CDPIK3CGPIK3R2
SCHEMBL18188693 0.90 PIK3CD (0.45) PIK3CDPIK3CGPIK3R2
SCHEMBL18188758 0.90 PIK3CD (0.48) PIK3CDPIK3CGPIK3R1OGFRL1
SCHEMBL16583454 0.90 PIK3CD (0.45) PIK3CDPIK3CGPIK3R2
SCHEMBL18188794 0.83 PIK3CD (0.44) PIK3CDPIK3CG
SCHEMBL18188792 0.83 PIK3CD (0.44) PIK3CDPIK3CG
SCHEMBL18188765 0.82 PIK3CD (0.45) PIK3CDPIK3CGPIK3R1
SCHEMBL18188761 0.82 PIK3CD (0.45) PIK3CDPIK3CGPIK3R1

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-9518046-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2016-12-13 US disclosed
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-11-03 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-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 PIK3CD 2/4885PIK3CG 6/4885PIK3R1 9/4885

“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.