SCHEMBL5512294

SCHEMBL5512294

Nc1nc(N2CCCCC2)c2nc(-c3ccccc3)cnc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 1.00
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPY5R Q15761 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
PIK3CG P48736 2/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ABL1 P00519 4/20 0.44
NTRK1 P04629 4/20 0.44
YES1 P07947 4/20 0.44
PIM1 P11309 4/20 0.44
MAPK1 P28482 4/20 0.44
KDR P35968 4/20 0.44

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
Water SCHEMBL6494382 0.99 NOS1 (0.97) NOS1USP2LMNATSHRHTT
SCHEMBL5517015 0.88 NOS1 (0.78) NOS1
SCHEMBL27541025 0.88 NOS1 (0.78) NOS1LMNAALDH1A1PIK3CGMAPK1
SCHEMBL5317835 0.88 NOS1 (1.00) NOS1HSD17B10ALDH1A1PIK3CGPIK3CA
SCHEMBL5521369 0.88 NOS1 (0.78) NOS1LMNAHSD17B10PIK3CG
SCHEMBL5514469 0.88 NOS1 (0.78) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3760391 0.88 NOS1 (0.78) NOS1HSD17B10ALDH1A1PIK3CGMAPK1
Water SCHEMBL6484324 0.86 NOS1 (0.76) NOS1
Water SCHEMBL6484321 0.86 NOS1 (0.76) NOS1
Water SCHEMBL6491267 0.86 NOS1 (0.98) NOS1HSD17B10ALDH1A1PIK3CGPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663244-B1 PTERIDINE DERIVATIVES FOR THE TREATMENT OF TNF-ALPHA-RELATED DISEASES. 4 AZA IP NV (BE) 2007-08-15 EP claimed
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases 4 AZA BIOSCIENCE NV (BE) 2007-01-04 US claimed
EP-1663244-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-ALPHA-RELATED DISEASES. 4 AZA Bioscience nv (BE) 2006-06-07 EP claimed
EP-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 EP claimed
WO-2005025574-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-α-RELATED DISEASES. 4 AZA BIOSCIENCE NV (BE) 2005-03-24 WO claimed
WO-2005021003-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2005-03-10 WO claimed
EP-1144412-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-09-29 EP claimed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 US claimed
US-7276506-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-10-02 US disclosed
EP-1663244-B1 PTERIDINE DERIVATIVES FOR THE TREATMENT OF TNF-ALPHA-RELATED DISEASES. 4 AZA IP NV (BE) 2007-08-15 EP disclosed
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases 4 AZA BIOSCIENCE NV (BE) 2007-01-04 US disclosed
CN-1283641-C Pteridine derivatives with nitric oxide synthase inhibitor function UNIV CHINA PHARMA (CN) 2006-11-08 CN disclosed
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-08-24 US disclosed
EP-1216246-B1 N-SUBSTITUTED 4-AMINOPTERIDINES, SYNTHESIS AND USE THEREOF AS PHARMACEUTICAL AGENT VASOPHARM BIOTECH GMBH & CO KG (DE) 2005-08-24 EP disclosed
CN-1546491-A Pteridine derivatives with nitric oxide synthase inhibitor function 中国药科大学 2004-11-17 CN disclosed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 US disclosed
EP-1216246-A1 N-SUBSTITUTED 4-AMINOPTERIDINES, SYNTHESIS AND USE THEREOF AS PHARMACEUTICAL AGENT Vasopharm Biotech GmbH & Co. KG (DE) 2002-06-26 EP disclosed
WO-2001021619-A1 N-SUBSTITUTED 4-AMINOPTERIDINES, SYNTHESIS AND USE THEREOF AS PHARMACEUTICAL AGENT VASOPHARM BIOTECH GMBH & CO. KG (DE) 2001-03-29 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 (3 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-20040077859-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885USP2 4732/4885LMNA 4431/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885USP2 4732/4885LMNA 4431/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885USP2 4698/4885LMNA 1556/4885

“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.