SCHEMBL6709971

SCHEMBL6709971

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)C4CC4)c3[nH]2)c(-c2nnn[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.40
ABL1 P00519 2/20 0.38
PARP14 Q460N5 1/20 0.35
GSK3A P49840 3/20 0.34
BRAF P15056 1/20 0.34
PLAU P00749 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAP3K5 Q99683 1/20 0.33
TP53 P04637 3/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HTR6 P50406 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL6709998 0.97 GSK3B (0.37) GSK3BABL1PARP14GSK3ABRAF
SCHEMBL6711770 0.97 GSK3B (0.37) GSK3BABL1PARP14GSK3AKDM4E
SCHEMBL6713895 0.96 GSK3B (0.37) GSK3BABL1KDM4ERXFP1
SCHEMBL6708999 0.92 RORC (0.34) GSK3BABL1MAP3K5PKMEGLN2
SCHEMBL6710288 0.90 JAK2 (0.36) GSK3BMAP3K5PKM
SCHEMBL6710276 0.90 JAK2 (0.36) GSK3BMAP3K5PKM
SCHEMBL6710268 0.90 JAK2 (0.36) GSK3BMAP3K5PKM
SCHEMBL6710380 0.88 MAP3K5 (0.43) MAP3K5TP53PKMPOLBMAPT
SCHEMBL6710250 0.88 KMT2A (0.42) PARP14PLAUTP53RXFP1
SCHEMBL6710254 0.87 NPC1 (0.40) DRD2DRD3

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 GSK3B 4467/4885ABL1 344/4885PARP14 2597/4885

“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.