SCHEMBL22728512

SCHEMBL22728512

Cc1ccc(-c2cccc(NC(=O)c3ccccn3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.64
CNR2 P34972 1/20 0.56
TLR7 Q9NYK1 1/20 0.54
KDR P35968 1/20 0.53
SCN9A Q15858 2/20 0.52
NR4A2 P43354 1/20 0.51
GRM4 Q14833 1/20 0.50
PTGS2 P35354 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL27655351 0.89 CNR2 (0.64) GRM5CNR2TLR7KDRSCN9A
SCHEMBL26884033 0.85 GRM5 (0.53) GRM5TLR7KDRGRM4PTGS2
SCHEMBL26884030 0.82 TLR7 (0.54) TLR7KDRGRM4PTGS2MEN1
SCHEMBL26884035 0.82 POLB (0.68) GRM5TLR7KDRGRM4PTGS2
SCHEMBL27655254 0.80 GRM5 (0.77) GRM5KMT2ANPC1RAB9AMAPT
SCHEMBL3862923 0.80 CNR2 (0.79) GRM5CNR2MEN1KMT2ANPC1
SCHEMBL26884042 0.79 TLR7 (0.51) TLR7KDRGRM4PTGS2MEN1
SCHEMBL3868972 0.78 GRM5 (0.73) GRM5CNR2MEN1KMT2ANPC1
SCHEMBL22728478 0.78 TLR7 (0.73) TLR7KDRMEN1KMT2ANPC1
SCHEMBL12248896 0.78 ADORA3 (0.68) TLR7MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF CARTHRONIX INC (US) 2023-11-30 US disclosed
US-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF CARTHRONIX INC (US) 2023-11-30 US disclosed
US-11420964-B2 Compositions and methods for modulating inflammatory and degenerative disorder UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2022-08-23 US disclosed
WO-2022082071-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF US THEREOF CARTHRONIX, INC. (US) 2022-04-21 WO disclosed
US-20220048901-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER UNIVERSITY OF SOUTHERN CALIFORNIA 2022-02-17 US disclosed
US-20200377494-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER UNIVERSITY OF SOUTHERN CALIFORNIA 2020-12-03 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 (4 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-20230382903-A1 SMALL MOLECULE MODULATORS OF GP130 SIGNALING PATHWAYS, TOPICAL FORMULATIONS AND METHOD OF USE THEREOF STAT1, STAT3, STAT6 GRM5 1094/4885CNR2 1412/4885TLR7 445/4885
US-11420964-B2 Compositions and methods for modulating inflammatory and degenerative disorder TNF, MSR1, GRN GRM5 409/4885CNR2 1467/4885TLR7 973/4885
US-20220048901-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER TNF, MSR1, GRN GRM5 409/4885CNR2 1467/4885TLR7 973/4885
US-20200377494-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER TNF, MSR1, GRN GRM5 409/4885CNR2 1467/4885TLR7 973/4885

“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.