SCHEMBL5509568

SCHEMBL5509568

COc1ccc(-c2cnc3nc(N)nc(N4CCCCC4)c3n2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 1.00
GAK O14976 4/20 0.55
NEK2 P51955 1/20 0.50
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL5513542 0.99 NOS1 (0.98) NOS1GAKNEK2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6495606 0.98 NOS1 (0.96) NOS1GAKNEK2KDM4EALDH1A1
SCHEMBL5510661 0.91 NOS1 (0.83) NOS1GAKNEK2PDE4APDE4B
Hydrochloric Acid SCHEMBL5469947 0.91 NOS1 (0.82) NOS1GAKNEK2PDE4APDE4B
SCHEMBL5471488 0.90 NOS1 (0.82) NOS1GAKNEK2PDE4APDE4B
SCHEMBL6063079 0.90 NOS1 (0.81) NOS1GAKNEK2PDE4APDE4B
SCHEMBL4460917 0.90 NOS1 (0.81) NOS1GAKNEK2KDM4EALDH1A1
SCHEMBL4409272 0.90 NOS1 (0.81) NOS1GAKNEK2PDE4APDE4B
Water SCHEMBL6499440 0.90 NOS1 (0.81) NOS1GAKNEK2PDE4APDE4B
Water SCHEMBL6481921 0.89 NOS1 (0.80) NOS1GAKNEK2KDM4EALDH1A1

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 16 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
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
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 141/4885GAK 2537/4885NEK2 2277/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885GAK 2537/4885NEK2 2277/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 NOS1 47/4885GAK 3628/4885NEK2 1780/4885

“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.