SCHEMBL4450496

SCHEMBL4450496

CCOc1nc(N)nc(N)c1N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.37
▸ CCNA2 P20248 4/20 0.37
▸ CCNA1 P78396 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CDK1 P06493 4/20 0.37
▸ CCNB1 P14635 4/20 0.37
▸ DHFR P00374 3/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CCNE1 P24864 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ MGMT P16455 1/20 0.33

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
SCHEMBL16464033 0.92 CCNA2 (0.44) CDK2CCNA2CCNA1SMN1; SMN2LMNA
SCHEMBL16828155 0.89 SMN1; SMN2 (0.40) CDK2CCNA2CCNA1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL16828217 0.86 SMN1; SMN2 (0.39) CDK2CCNA2CCNA1SMN1; SMN2LMNA
SCHEMBL16464928 0.84 NOS1 (0.34) CDK2CCNA2CCNA1SMN1; SMN2LMNA
SCHEMBL11700870 0.83 CDK1 (0.50) CDK2CCNA2CCNA1LMNACDK1
SCHEMBL16463774 0.83 CDK1 (0.39) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL16465005 0.81 CCNA2 (0.35) CDK2CCNA2CCNA1SMN1; SMN2LMNA
SCHEMBL16462943 0.81 CDK1 (0.38) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL18134207 0.81 MAPK1 (0.41) CDK2CCNA2CCNA1SMN1; SMN2LMNA
SCHEMBL16852182 0.81 SMN1; SMN2 (0.36) CDK2CCNA2CCNA1SMN1; SMN2LMNA

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
US-9364407-B2 Hair dye agent comprising aminopyrimidine derivatives HENKEL AG & CO. KGAA (DE) 2016-06-14 — — US disclosed
US-9364407-B2 Hair dye agent comprising aminopyrimidine derivatives HENKEL AG & CO. KGAA (DE) 2016-06-14 — — US disclosed
US-20150209257-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2015-07-30 — — US disclosed
US-20150209257-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2015-07-30 — — US disclosed
WO-2014056758-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2014-04-17 — — WO disclosed
WO-2013044030-A1 2'-CHLOROACETYLENYL SUBSTITUTED NUCLEOSIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2013-03-28 — — WO disclosed
US-7501513-B2 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2009-03-10 — — US disclosed
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-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-1663244-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-ALPHA-RELATED DISEASES. 4 AZA Bioscience nv (BE) 2006-06-07 — — EP disclosed
EP-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 — — EP disclosed
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 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
US-4046503-A DEVELOPER-COUPLER HAIR DYES BASED ON ALKOXY-TRIAMINO-PYRIMIDINES HENKEL & CIE GMBH (DT) 1977-09-06 — — 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 (5 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-20150209257-A1 HAIR DYE AGENT COMPRISING AMINOPYRIMIDINE DERIVATIVES H1-4, H1-2, QDPR CDK2 1014/4885CCNA2 152/4885CCNA1 292/4885
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 CDK2 636/4885CCNA2 1165/4885CCNA1 722/4885
US-20060287314-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 CDK2 663/4885CCNA2 1188/4885CCNA1 782/4885
US-20060189620-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 CDK2 636/4885CCNA2 1165/4885CCNA1 722/4885
US-20070004721-A1 Pteridine derivatives for the treatment of septic shock and tnf-a-related diseases TNF, TNFRSF1A, TLR4 CDK2 2395/4885CCNA2 2278/4885CCNA1 1679/4885

“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.

Send feedback