SCHEMBL638499

SCHEMBL638499

Oc1cccc(CNc2ncnc3[nH]cnc23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.59
CDK1 P06493 2/20 0.59
CCNB1 P14635 2/20 0.59
CCNB3 Q8WWL7 2/20 0.59
AURKA O14965 8/20 0.56
RPS6KB1 P23443 7/20 0.56
AURKB Q96GD4 4/20 0.56
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
ABL1 P00519 1/20 0.48
LCK P06239 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48
PDGFRB P09619 1/20 0.48
FGFR1 P11362 1/20 0.48

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
SCHEMBL30605167 1.00 CCNB2 (0.59) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL4921909 0.86 CDK1 (0.43) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL4920209 0.85 AURKA (0.54) CCNB2CDK1CCNB1CCNB3AURKA
SCHEMBL30850682 0.84 CYP1A2 (0.60) AURKARPS6KB1AURKBCDC7DBF4
SCHEMBL4921700 0.84 CYP1A2 (0.60) AURKARPS6KB1AURKBCDC7DBF4
SCHEMBL639807 0.84 CDC7 (0.67) CDK1AURKAAURKBCDC7DBF4
SCHEMBL621253 0.84 CLK4 (0.67) AURKARPS6KB1AURKBCDC7DBF4
SCHEMBL4923417 0.84 EGFR (0.55) AURKARPS6KB1AURKBCDC7DBF4
SCHEMBL4921713 0.84 CDC7 (0.48) AURKAAURKBCDC7DBF4DAPK3
SCHEMBL1443427 0.83 CDK1 (0.55) CCNB2CDK1CCNB1CCNB3AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504948-A1 COMPOSITIONS AND METHODS FOR TRANSFORMATION OF EMBRYO EXPLANT POPULATIONS Monsanto Technology LLC (US) 2025-02-12 EP claimed
EP-4472642-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2024-12-11 EP claimed
EP-4153592-B1 MESYLATE SALTS OF HETEROCYCLIC CYTOKININS, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF UNIV PALACKEHO (CZ) 2024-04-24 EP claimed
CN-117796322-A Culture method for improving browning of paeonia lactiflora callus 四川省农业科学院经济作物研究所 2024-04-02 CN claimed
CN-116868889-A Breeding method of new dendrobium nobile variety 闽江学院 2023-10-13 CN claimed
WO-2023196828-A1 COMPOSITIONS AND METHODS FOR TRANSFORMATION OF EMBRYO EXPLANT POPULATIONS MONSANTO TECHNOLOGY LLC (US) 2023-10-12 WO claimed
WO-2023078482-A1 HETEROCYCLIC PURINE CYTOKININ DERIVATIVES, THEIR USE IN WOUND HEALING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-05-11 WO claimed
CN-113575589-A Exogenous hormone formula for promoting pumpkin rooting and application method thereof 安徽省农业科学院园艺研究所 2021-11-02 CN claimed
US-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EPERIMENTALNI BOTANIKY AKADEMI VED CESKE REPUBILIKY (CZ) 2005-02-24 US claimed
EP-1419157-A2 HETEROCYCLIC COMPOUND BASED ON N sp 6 /sp −SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2004-05-19 EP claimed
WO-2003040144-A2 HETEROCYCLIC COMPOUND BASED ON N6-SUBSTITUTED ADENINE, METHODS OF THEIR PREPARATION, THEIR USE FOR PREPARATION OF DRUGS, COSMETIC PREPARATIONS AND GROWTH REGULATORS, PHARMACEUTICAL PREPARATIONS, COSMETIC PREPARATIONS AND GROWTH REGULATORS CONTAINING THESE COMPOUNDS USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2003-05-15 WO claimed
US-12570657-B2 Mesylate salts of heterocyclic cytokinins, compositions containing these derivatives and use thereof UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2026-03-10 US disclosed
EP-4178959-B1 NITROGEN HETEROCYCLIC CYTOKININ DERIVATIVES, COMPOSITIONS CONTAINING THESE DERIVATIVES AND USE THEREOF UNIV PALACKEHO (CZ) 2025-09-10 EP disclosed
US-12378247-B2 Mesylate salt of para-topolin, compositions containing said salt and use thereof USTAV EXPERIMENTALNI BOTANIKY AV CR, V. V. I. (CZ) 2025-08-05 US disclosed
EP-4504948-A1 COMPOSITIONS AND METHODS FOR TRANSFORMATION OF EMBRYO EXPLANT POPULATIONS Monsanto Technology LLC (US) 2025-02-12 EP disclosed
EP-0601092-B1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD NOVARTIS AG (CH) 1999-07-07 EP disclosed
EP-0896063-A2 Method for the selection of genetically transformed cells and compounds for use in the method Novartis AG (CH) 1999-02-10 EP disclosed
EP-0601092-A1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD Novartis AG (CH) 1994-06-15 EP disclosed
WO-1993005163-A1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD SANDOZ LTD. (CH) 1993-03-18 WO disclosed
EP-0530129-A1 Method for the selection of genetically transformed cells and compounds for use in the method SANDOZ LTD. (CH) 1993-03-03 EP 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-20050043328-A1 Heterocyclic compound based on n6-substituted adenine, methods, of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ATIC, UMPS, CCNB1 CCNB2 19/4885CDK1 35/4885CCNB1 3/4885
US-12378247-B2 Mesylate salt of para-topolin, compositions containing said salt and use thereof TOP2A, TOP1, TOP2B CCNB2 929/4885CDK1 1913/4885CCNB1 771/4885
US-12570657-B2 Mesylate salts of heterocyclic cytokinins, compositions containing these derivatives and use thereof TYMP, TK1, DCK CCNB2 81/4885CDK1 167/4885CCNB1 52/4885

“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.