SCHEMBL4454812

SCHEMBL4454812

CCOc1nc(N)nc2nc(-c3ccccc3)c(-c3ccccc3)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.59
DHFR P00374 1/20 0.59
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 3/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 2/20 0.50
MTOR P42345 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
JAK2 O60674 1/20 0.50
GMNN O75496 1/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
CTSG P08311 1/20 0.50
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50

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 0.81 NOS1 (0.55) PIK3CGALDH1A1MAPK1KDM4ENPC1
SCHEMBL3760884 0.79 NOS1 (0.53) PIK3CGALDH1A1MAPK1KDM4ENPC1
SCHEMBL13377678 0.77 ALDH1A1 (0.49) DHFRALDH1A1MAPK1LMNAGAA
SCHEMBL510728 0.77 NPC1 (0.49) ALDH1A1MAPK1LMNAGAANPC1
SCHEMBL3758002 0.75 MAPT (0.44) ALDH1A1MAPK1CYP3A4LMNATDP1
SCHEMBL3746280 0.75 PIK3CG (1.00) PIK3CGDHFRALDH1A1MAPK1KDM4E
SCHEMBL3760562 0.75 NOS1 (0.44) PIK3CGALDH1A1MAPK1CYP3A4NPC1
SCHEMBL13377891 0.74 ALDH1A1 (0.47) DHFRALDH1A1MAPK1LMNAGAA
SCHEMBL6814334 0.74 PIK3CG (0.59) PIK3CGDHFRALDH1A1MAPK1KDM4E
SCHEMBL4525197 0.73 ALDH1A1 (0.52) DHFRALDH1A1MAPK1KDM4ELMNA

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 PIK3CG 1880/4885DHFR 12/4885ALDH1A1 1257/4885
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 PIK3CG 1658/4885DHFR 15/4885ALDH1A1 1631/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 PIK3CG 1880/4885DHFR 12/4885ALDH1A1 1257/4885

“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.