SCHEMBL29434113

SCHEMBL29434113

CN(C)C=NNC(=O)c1cc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NAPEPLD Q6IQ20 10/20 0.42
PIK3CB P42338 4/20 0.42
PIK3CA P42336 3/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PIK3CD O00329 2/20 0.42
PIK3CG P48736 2/20 0.42
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
AKT1 P31749 1/20 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
SCHEMBL24766834 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NAPEPLDPIK3CBPIK3CAHDAC8
SCHEMBL241043 0.80 PIK3CB (0.57) SMN1; SMN2NAPEPLDPIK3CBPIK3CAPIK3CD
SCHEMBL24766039 0.78 MAPT (0.47) SMN1; SMN2NAPEPLDPIK3CBPIK3CAPIK3CD
SCHEMBL29434163 0.77 PTGS2 (0.47) SMN1; SMN2NAPEPLDPIK3CBMEN1MAPT
SCHEMBL24766029 0.77 PTGS2 (0.47) SMN1; SMN2NAPEPLDPIK3CBMEN1MAPT
SCHEMBL24766030 0.76 KMT2A (0.47) SMN1; SMN2PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL244072 0.75 PIK3CA (0.47) SMN1; SMN2PIK3CBPIK3CAPIK3CDPIK3CG
SCHEMBL25340939 0.75 KMT2A (0.44) SMN1; SMN2PIK3CBMEN1MAPTKMT2A
SCHEMBL25340937 0.75 KMT2A (0.44) SMN1; SMN2PIK3CBMEN1MAPTKMT2A
SCHEMBL29434078 0.75 PIK3CA (0.47) SMN1; SMN2PIK3CBPIK3CAPIK3CDPIK3CG

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-20220340543-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2022-10-27 US disclosed
US-20220089569-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2022-03-24 US disclosed
WO-2022060996-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2022-03-24 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 (2 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-20220340543-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF SMN1; SMN2 3700/4885NAPEPLD 4150/4885PIK3CB 147/4885
US-20220089569-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF SMN1; SMN2 3700/4885NAPEPLD 4150/4885PIK3CB 147/4885

“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.