SCHEMBL640668

SCHEMBL640668

COc1ccc(CNc2ncnc3c2ncn3SC)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 8/20 0.55
▸ CCNB2 O95067 7/20 0.55
▸ CCNB1 P14635 7/20 0.55
▸ CCNB3 Q8WWL7 7/20 0.55
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PDE5A O76074 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TNF P01375 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ TMIGD3 P0DMS9 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL642276 0.81 CDK1 (0.46) CDK1CCNB2CCNB1CCNB3KMT2A
SCHEMBL6135888 0.75 CDK1 (0.57) CDK1CCNB2CCNB1CCNB3SMN1; SMN2
SCHEMBL622709 0.75 SMN1; SMN2 (0.52) CDK1CCNB2CCNB1CCNB3MAPT
SCHEMBL622710 0.70 SMN1; SMN2 (0.74) MAPTSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL640682 0.70 CDK1 (0.51) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL3412331 0.67 NPC1 (0.66) CDK1CCNB2CCNB1CCNB3SMN1; SMN2
SCHEMBL27871292 0.66 RAB9A (0.49) CDK1CCNB2CCNB1CCNB3MAPT
SCHEMBL3414947 0.66 NPC1 (0.70) CDK1CCNB2CCNB1CCNB3SMN1; SMN2
SCHEMBL12788887 0.65 MAPT (0.53) MAPTSMN1; SMN2L3MBTL1PDE5AMEN1
SCHEMBL20626312 0.65 ADORA3 (0.75) ADORA2AADORA1ADORA3

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 5 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
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.

Send feedback