SCHEMBL30338729

SCHEMBL30338729

CC(=O)Nc1ccc(-c2ccccc2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.63
PTPN2 P17706 1/20 0.63
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
KDM4E B2RXH2 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
CYP2C19 P33261 1/20 0.59
NPC1 O15118 2/20 0.55
POLB P06746 2/20 0.55
RAB9A P51151 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
BAZ2B Q9UIF8 1/20 0.54
WNT3A P56704 6/20 0.53

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
SCHEMBL4870704 0.86 PTPN1 (0.67) PTPN1PTPN2BAZ2BWNT3ALDHA
SCHEMBL7964257 0.86 SMN1; SMN2 (0.54) PTPN1PTPN2ALDH1A1HPGDMAPT
SCHEMBL28103663 0.85 TDP1 (0.59) PTPN1PTPN2ALDH1A1HPGDMAPT
SCHEMBL14377943 0.85 PPARG (0.54) PTPN1PTPN2ALDH1A1HPGDMAPT
SCHEMBL27851554 0.83 PTPN1 (0.63) PTPN1PTPN2MAPTBAZ2BWNT3A
SCHEMBL14988290 0.83 HSD17B10 (0.55) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL20641462 0.82 PTPN1 (0.91) PTPN1PTPN2KMT2AMEN1KDM4E
SCHEMBL70304 0.81 WNT3A (0.61) PTPN1PTPN2WNT3ALDHA
SCHEMBL18573217 0.81 PTPN1 (0.78) PTPN1PTPN2KMT2AKDM4ERAB9A
SCHEMBL28103319 0.80 SMN1; SMN2 (0.49) PTPN1PTPN2ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPN1 2637/4885PTPN2 2939/4885ALDH1A1 2214/4885

“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.