SCHEMBL307293

SCHEMBL307293

Nc1nc(CN2CCOCC2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
LMNA P02545 1/20 0.54
CXCR4 P61073 1/20 0.53
HTT P42858 1/20 0.44
CNR1 P21554 1/20 0.43
KCNH2 Q12809 1/20 0.43
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRB2 P47870 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALOX15 P16050 1/20 0.40
ADORA2A P29274 1/20 0.40
ENPP2 Q13822 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
NOS1 P29475 1/20 0.39

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
Hydrochloric Acid SCHEMBL3606873 0.98 SMN1; SMN2 (0.97) SMN1; SMN2LMNACXCR4HTTCNR1
Trifluoroacetic Acid SCHEMBL465779 0.87 SMN1; SMN2 (0.75) SMN1; SMN2LMNACXCR4CNR1KCNH2
SCHEMBL1033875 0.84 SMN1; SMN2 (0.73) SMN1; SMN2LMNADRD2DRD4DRD3
SCHEMBL3624985 0.84 SMN1; SMN2 (0.72) SMN1; SMN2LMNACXCR4RAB9AGABRA5
SCHEMBL3632268 0.83 SMN1; SMN2 (0.71) SMN1; SMN2LMNADRD2DRD4DRD3
SCHEMBL13551047 0.81 SMN1; SMN2 (0.69) SMN1; SMN2CXCR4HTTCNR1KCNH2
SCHEMBL20605747 0.81 SMN1; SMN2 (0.69) SMN1; SMN2CXCR4HTTCNR1KCNH2
SCHEMBL1419909 0.80 SMN1; SMN2 (0.67) SMN1; SMN2LMNACXCR4HTTCNR1
SCHEMBL12654050 0.80 SMN1; SMN2 (0.67) SMN1; SMN2CXCR4HTTCNR1KCNH2
SCHEMBL9072421 0.80 SMN1; SMN2 (0.67) SMN1; SMN2LMNADRD2DRD4DRD3

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO claimed
US-12313546-B2 Sensing devices and chemosensors and compositions relating thereto ROBERT BOSCH GMBH (DE) 2025-05-27 US disclosed
US-20220034808-A1 SENSING DEVICES AND CHEMOSENSORS AND COMPOSITIONS RELATING THERETO ROBERT BOSCH GMBH (DE) 2022-02-03 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 US disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
CN-102083438-B The quinoline of conditioning agent and related analogs as silent message regulatory factor 西特里斯药业公司 2016-11-09 CN disclosed
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, N.V. (BE) 2009-01-08 US disclosed
US-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, N.V. (BE) 2009-01-08 US disclosed
WO-2008138842-A1 IMIDAZOPYRAZINES AND TRIAZOLOPYRAZINE FOR THE TREATMENT OF JOINT DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-11-20 WO disclosed
WO-2008138842-A1 IMIDAZOPYRAZINES AND TRIAZOLOPYRAZINE FOR THE TREATMENT OF JOINT DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-11-20 WO disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 US disclosed
EP-1896434-A1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Pharma Company (US) 2008-03-12 EP disclosed
WO-2006076632-A1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFκB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (2 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-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases TNF, LITAF, CNKSR1 SMN1; SMN2 1423/4885LMNA 1886/4885CXCR4 1465/4885
US-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKB2, NFKB1 SMN1; SMN2 4730/4885LMNA 4082/4885CXCR4 570/4885

“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.