SCHEMBL12415873

SCHEMBL12415873

N#Cc1cccc(NC(=O)N2CCOc3cccnc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.54
TP53 P04637 2/20 0.51
GRM4 Q14833 1/20 0.48
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HIF1A Q16665 1/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C19 P33261 2/20 0.45
USP2 O75604 1/20 0.45
THRB P10828 1/20 0.45
CYP1A2 P05177 3/20 0.44
MAPK1 P28482 2/20 0.44
SHMT2 P34897 1/20 0.44
CYP2D6 P10635 2/20 0.44
EGLN1 Q9GZT9 1/20 0.44

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
SCHEMBL12415862 0.85 LCK (0.53) GPR142TP53ALDH1A1SMN1; SMN2NPC1
SCHEMBL12415863 0.84 TP53 (0.62) GPR142TP53GRM4ALDH1A1SMN1; SMN2
SCHEMBL12415805 0.83 MAPT (0.52) GPR142ALDH1A1CYP2C19THRBSHMT2
SCHEMBL12415901 0.83 SHMT2 (0.45) GPR142TP53SMN1; SMN2NPC1RAB9A
SCHEMBL12415870 0.83 NPC1 (0.53) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12415859 0.82 GPR142 (0.57) GPR142TP53GRM4ALDH1A1SMN1; SMN2
SCHEMBL12415860 0.81 MEN1 (0.55) GPR142TP53ALDH1A1USP2TSHR
SCHEMBL12415872 0.81 NPSR1 (0.53) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12415871 0.80 MEN1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AGAA
SCHEMBL12415886 0.80 LMNA (0.48) GPR142TP53ALDH1A1SMN1; SMN2NPC1

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-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-07-14 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-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R3, AKT3, AKT2 GPR142 2317/4885TP53 423/4885GRM4 2386/4885

“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.