SCHEMBL3712178

SCHEMBL3712178

CC(=O)Nc1ccc(-c2cnccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MEN1 O00255 5/20 0.59
KDM4E B2RXH2 4/20 0.59
GAA P10253 3/20 0.59
PRNP P04156 1/20 0.59
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 5/20 0.55
HPGD P15428 5/20 0.55
MAPT P10636 4/20 0.55
RXFP1 Q9HBX9 3/20 0.55
JAK2 O60674 1/20 0.53
JAK3 P52333 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
WNT3A P56704 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL17675335 0.83 PORCN (0.55) WNT3A
SCHEMBL30007910 0.83 PORCN (0.55) WNT3A
SCHEMBL21009646 0.80 NPC1 (0.54) KMT2AMEN1KDM4ESMN1; SMN2HTT
SCHEMBL25607320 0.80 CYP2D6 (0.50) GAASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL11255014 0.79 TRPV1 (0.62) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL10726628 0.78 SMN1; SMN2 (0.67) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL23973240 0.77 KMT2A (0.63) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL13458072 0.77 SMN1; SMN2 (0.61) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL30167511 0.77 KMT2A (0.63) KMT2AMEN1KDM4EGAAPRNP
SCHEMBL11541937 0.76 CYP2D6 (0.60) MAPTNPC1RAB9ACYP2C19CYP1A2

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
WO-2010101849-A1 N- (HETERO)ARYL, 2- (HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS IRM LLC (BM) 2010-09-10 WO claimed
US-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases STEP PHARMA S.A.S. (FR) 2023-03-23 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-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases CTPS1, CTPS2, CERS2 KMT2A 4494/4885MEN1 4379/4885KDM4E 2434/4885

“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.