SCHEMBL642276

SCHEMBL642276

CSn1cnc2c(NCc3cc(Br)c(O)c(Br)c3)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 8/20 0.46
▸ CCNB2 O95067 7/20 0.46
▸ CCNB1 P14635 7/20 0.46
▸ CCNB3 Q8WWL7 7/20 0.46
▸ ADORA2A P29274 6/20 0.43
▸ ADORA3 P0DMS8 6/20 0.43
▸ ADORA1 P30542 4/20 0.43
▸ CDK2 P24941 1/20 0.42
▸ TMIGD3 P0DMS9 1/20 0.41
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL640668 0.81 CDK1 (0.55) CDK1CCNB2CCNB1CCNB3ADORA2A
SCHEMBL640682 0.76 CDK1 (0.51) CDK1CCNB2CCNB1CCNB3ADORA2A
SCHEMBL6135888 0.73 CDK1 (0.57) CDK1CCNB2CCNB1CCNB3ADORA2A
SCHEMBL620872 0.70 LMNA (0.37) CDK1CCNB2CCNB1CCNB3ADORA2A
SCHEMBL27871292 0.70 RAB9A (0.49) CDK1CCNB2CCNB1CCNB3ADORA2A
SCHEMBL620873 0.64 LMNA (0.61) ADORA3CDK2KMT2A
SCHEMBL6016512 0.63 CDK1 (0.78) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL9224998 0.63 CDK1 (0.67) CDK1CCNB2CCNB1CCNB3ADORA2A
SCHEMBL638746 0.62 ADORA3 (0.75) ADORA2AADORA3ADORA1
SCHEMBL638745 0.62 ADORA3 (0.75) ADORA2AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, 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) 2006-07-27 — — US claimed
EP-1575973-A2 SUBSTITUTION DERIVATIVES OF N SP 6 SP -BENZYLADENOSINE, 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 Ceské Republiky (CZ) 2005-09-21 — — EP claimed
WO-2004058791-A2 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE, 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) 2004-07-15 — — WO claimed
US-8119614-B2 Substitution derivatives of N6-benzyladenosine, 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) 2012-02-21 — — US disclosed
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, 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) 2006-07-27 — — US disclosed
EP-1575973-A2 SUBSTITUTION DERIVATIVES OF N SP 6 SP -BENZYLADENOSINE, 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 Ceské Republiky (CZ) 2005-09-21 — — EP disclosed
WO-2004058791-A2 SUBSTITUTION DERIVATIVES OF N6-BENZYLADENOSINE, 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) 2004-07-15 — — WO 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 (1 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-20060166925-A1 Substitution derivatives of n6-benzyladenosine, 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 ADAR, ADORA2A, AMPD2 CDK1 177/4885CCNB2 79/4885CCNB1 45/4885

“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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