SCHEMBL5456964

SCHEMBL5456964

CSc1nc(N)c(N=O)c(N)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.42
CCNA2 P20248 3/20 0.42
CCNA1 P78396 3/20 0.42
CDK1 P06493 4/20 0.41
CDK4 P11802 1/20 0.41
HSP90AB1 P08238 2/20 0.40
ABCB1 P08183 2/20 0.39
CCNB1 P14635 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CASP6 P55212 1/20 0.33
HSP90AA1 P07900 2/20 0.32
POLB P06746 1/20 0.32
MGMT P16455 2/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL15500414 0.86 CDK2 (0.37) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL2686771 0.86 CDK2 (0.37) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL14490772 0.73 CDK2 (0.47) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL13322768 0.73 KMT2A (0.35) HSP90AB1KMT2AMEN1RXFP1
SCHEMBL6209356 0.72 CDK2 (0.52) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL4956793 0.72 HSP90AB1 (0.48) HSP90AB1ABCB1KMT2AMEN1HSP90AA1
SCHEMBL439475 0.72 CDK2 (0.61) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL3948256 0.71 SMN1; SMN2 (0.45) KMT2AMEN1KDM4EMAPTPOLB
SCHEMBL9413896 0.70 ABCB1 (0.53) HSP90AB1ABCB1KMT2AMEN1HSP90AA1
Hydrochloric Acid SCHEMBL4458130 0.70 HSP90AB1 (0.46) HSP90AB1ABCB1KMT2AHSP90AA1POLB

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4745652-A DEVELOPERS FOR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1988-05-24 US claimed
EP-0256468-A2 Tetraaminopyrimidine derivatives and their use as hair dyeing agents Henkel Kommanditgesellschaft auf Aktien (DE) 1988-02-24 EP claimed
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2017-03-09 US disclosed
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
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 EP disclosed
EP-1673092-B1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA IP NV (BE) 2007-08-15 EP disclosed
EP-1663244-B1 PTERIDINE DERIVATIVES FOR THE TREATMENT OF TNF-ALPHA-RELATED DISEASES. 4 AZA IP NV (BE) 2007-08-15 EP 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 US disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 WO 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
US-5500428-A Furyl-substituted purines and adenosine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-03-19 US disclosed
US-5300509-A Adenosine antagonists for treating cardiovascular disorders, vasodilation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-05 US disclosed
EP-0584797-A2 Novel cephalosporin compounds and processes for the preparation thereof LUCKY LTD. (KR) 1994-03-02 EP disclosed
EP-0544445-A2 Furyl-substituted purines, oxazolopyrimidines and pteridines as adenosine antagonists ZENECA LIMITED (GB) 1993-06-02 EP disclosed
US-4745652-A DEVELOPERS FOR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1988-05-24 US disclosed
EP-0256468-A2 Tetraaminopyrimidine derivatives and their use as hair dyeing agents Henkel Kommanditgesellschaft auf Aktien (DE) 1988-02-24 EP disclosed
US-4286093-A 9-Cyclohexyl-2-alkoxy-9H-adenine process MEAD JOHNSON & COMPANY (US) 1981-08-25 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 (2 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF CDK2 723/4885CCNA2 1271/4885CCNA1 629/4885
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 CDK2 4091/4885CCNA2 4384/4885CCNA1 4758/4885

“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.