SCHEMBL4460914

SCHEMBL4460914

CCOc1nc(N(C)C)nc2ncc(-c3ccccc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.42
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAT2A P31153 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SQOR Q9Y6N5 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL5523485 0.82 NOS1 (0.55) NOS1NPC1KDM4EMAPTALDH1A1
SCHEMBL6814034 0.80 NOS1 (0.56) NOS1NPC1KDM4ERAB9AHIF1A
SCHEMBL3760884 0.80 NOS1 (0.53) NOS1NPC1KDM4EMAPTALDH1A1
SCHEMBL3765206 0.75 NOS1 (0.54) NOS1
SCHEMBL3755728 0.74 PIK3CG (0.47) NOS1NPC1ALDH1A1MAPK1RAB9A
SCHEMBL3766677 0.73 NOS1 (0.53) NOS1NPC1KDM4EMAPTALDH1A1
SCHEMBL3755599 0.71 NOS1 (0.52) NOS1NPC1KDM4EMAPT
SCHEMBL3760343 0.71 HSP90AA1 (0.46) NOS1NPC1HSD17B10MAPK1RAB9A
SCHEMBL3752734 0.71 NOS1 (0.49) NOS1NPC1ALDH1A1MAPK1RAB9A
SCHEMBL3760562 0.71 NOS1 (0.44) NOS1NPC1ALDH1A1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144412-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-09-29 EP claimed
US-7501513-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2009-03-10 US disclosed
EP-1658081-B1 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA IP NV (BE) 2007-10-24 EP disclosed
US-7276506-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2007-10-02 US disclosed
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-12-21 US disclosed
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2006-08-24 US disclosed
EP-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 EP disclosed
WO-2005021003-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2005-03-10 WO disclosed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 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 (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 141/4885NPC1 1701/4885KDM4E 2108/4885
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 118/4885NPC1 1538/4885KDM4E 1696/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 NOS1 141/4885NPC1 1701/4885KDM4E 2108/4885

“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.