SCHEMBL5466587

SCHEMBL5466587

CCCCc1nc(O)c2[nH]cnc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.46
▸ ADORA2A P29274 5/20 0.46
▸ CDK1 P06493 3/20 0.44
▸ CCNB1 P14635 3/20 0.44
▸ CCNA2 P20248 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CCNA1 P78396 2/20 0.44
▸ PIN1 Q13526 1/20 0.44
▸ POLA1 P09884 5/20 0.42
▸ XDH P47989 6/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL16146399 0.90 CDK1 (0.41) ADORA3ADORA2ACDK1CCNB1CCNA2
SCHEMBL11133893 0.83 CDK1 (0.40) ADORA3ADORA2ACDK1CCNB1CCNA2
SCHEMBL1074970 0.81 POLA1 (0.57) ADORA3ADORA2ACDK1CCNB1CCNA2
SCHEMBL28299226 0.77 POLA1 (0.53) ADORA3ADORA2ACDK1CCNB1CCNA2
SCHEMBL28770511 0.77 PDPK1 (0.42) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL19281406 0.77 CYP1A2 (0.46) ADORA3ADORA2ACDK1CCNB1CCNA2
SCHEMBL5466583 0.76 HRH3 (0.35) ADORA3ADORA2ACDK1CCNB1CCNA2
SCHEMBL30610405 0.76 CDK1 (0.53) ADORA3ADORA2ACDK1CCNB1CCNA2
Hydrochloric Acid SCHEMBL26629016 0.74 CDK1 (0.51) ADORA3ADORA2ACDK1CCNB1CCNA2
SCHEMBL16147040 0.73 XDH (0.56) ADORA3CDK1CCNB1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 — — US disclosed
EP-1728792-A1 8-OXOADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-06 — — EP disclosed
WO-2002085904-A1 SNYTHESIS AND METHODS OF USE OF PURINE ANALOGUES AND DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2002-10-31 — — WO disclosed
US-20020156277-A1 Synthesis and methods of use of purine analogues and derivatives NEO THERAPEUTICS, INC. 2002-10-24 — — 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-20020156277-A1 Synthesis and methods of use of purine analogues and derivatives SLC29A1, ATIC, PNP ADORA3 9/4885ADORA2A 4/4885CDK1 1103/4885
US-20070225303-A1 8-Oxoadenine Compound TLR7, CCR8, TLR8 ADORA3 34/4885ADORA2A 22/4885CDK1 2000/4885

“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.

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