SCHEMBL16596153

SCHEMBL16596153

Cc1ccccc1-n1c(C)cc2cccc(Cl)c2c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.44
PIK3CG P48736 3/20 0.44
PIK3R2 O00459 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NOTUM Q6P988 4/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KLK7 P49862 1/20 0.40
HCAR1 Q9BXC0 1/20 0.39
GRM4 Q14833 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL16596818 0.88 PIK3CD (0.49) PIK3CDPIK3CGKMT2AMEN1NOTUM
SCHEMBL16591282 0.84 PIK3CD (0.42) PIK3CDPIK3CGPIK3R2KMT2AMEN1
SCHEMBL16596827 0.84 ALDH1A1 (0.48) PIK3CDPIK3CGPIK3R2KMT2AMEN1
SCHEMBL16596143 0.82 PIK3CD (0.48) PIK3CDPIK3CGPIK3R2ALDH1A1KDM4E
SCHEMBL28113666 0.77 ALDH1A1 (0.56) KMT2AMEN1NOTUMALDH1A1LMNA
SCHEMBL18885591 0.77 MAPK14 (0.46) PIK3CDPIK3CGPIK3R2NOTUML3MBTL1
SCHEMBL22237967 0.77 ALDH1A1 (0.50) PIK3CDPIK3CGPIK3R2KMT2AMEN1
SCHEMBL16596184 0.77 PIK3CD (0.45) PIK3CDPIK3CGPIK3R2NOTUMKDM4E
SCHEMBL16596829 0.77 ALDH1A1 (0.43) PIK3CDPIK3CGPIK3R2KMT2AMEN1
SCHEMBL16596961 0.76 ALDH1A1 (0.63) PIK3CDPIK3CGALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657007-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-05-23 US disclosed
US-20150087658-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 US disclosed
WO-2015042078-A2 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-03-26 WO 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-20150087658-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 PIK3CD 2/4885PIK3CG 6/4885PIK3R2 12/4885

“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.