SCHEMBL22728478

SCHEMBL22728478

Cc1ccc(-c2nc(NC(=O)c3ccccn3)cs2)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.73
CDK5 Q00535 2/20 0.58
CDK5R1 Q15078 2/20 0.58
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49
HTT P42858 1/20 0.49
KDR P35968 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
SCHEMBL22728528 0.79 KMT2A (0.65) TLR7CDK5CDK5R1NPC1RAB9A
SCHEMBL22728512 0.78 GRM5 (0.64) TLR7NPC1RAB9AMEN1KMT2A
SCHEMBL26884035 0.78 POLB (0.68) TLR7NPC1RAB9APOLBALDH1A1
SCHEMBL26884000 0.78 RAB9A (0.62) TLR7NPC1RAB9AALDH1A1MEN1
SCHEMBL12248896 0.77 ADORA3 (0.68) TLR7NPC1RAB9APOLBALDH1A1
SCHEMBL30620397 0.76 TDP1 (0.82) TLR7NPC1RAB9APOLBALDH1A1
SCHEMBL26884008 0.76 MEN1 (0.54) TLR7NPC1RAB9AALDH1A1MEN1
SCHEMBL26883992 0.76 ADORA3 (0.69) TLR7NPC1RAB9APOLBMEN1
SCHEMBL26884033 0.76 GRM5 (0.53) TLR7NPC1RAB9AMEN1KMT2A
SCHEMBL9829826 0.75 RAB9A (0.49) TLR7CDK5CDK5R1NPC1RAB9A

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 TLR7 445/4885CDK5 4202/4885CDK5R1 3601/4885
US-11420964-B2 Compositions and methods for modulating inflammatory and degenerative disorder TNF, MSR1, GRN TLR7 973/4885CDK5 856/4885CDK5R1 674/4885
US-20220048901-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER TNF, MSR1, GRN TLR7 973/4885CDK5 856/4885CDK5R1 674/4885
US-20200377494-A1 COMPOSITIONS AND METHODS FOR MODULATING INFLAMMATORY AND DEGENERATIVE DISORDER TNF, MSR1, GRN TLR7 973/4885CDK5 856/4885CDK5R1 674/4885

“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.