SCHEMBL8959407

SCHEMBL8959407

CN[C@H]1CC[C@H](Nc2ncnc(N[C@@H]3CCN(C)C3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.45
IKBKB O14920 1/20 0.42
KAT2B Q92831 2/20 0.39
IDH2 P48735 1/20 0.38
CDK1 P06493 3/20 0.37
CCNA2 P20248 3/20 0.37
CDK2 P24941 3/20 0.37
CCNA1 P78396 3/20 0.37
CDK4 P11802 3/20 0.37
CCND1 P24385 3/20 0.37
CCNB1 P14635 2/20 0.37
MAPK7 Q13164 1/20 0.37
RET P07949 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CCND3 P30281 1/20 0.37
CDK6 Q00534 1/20 0.37

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
SCHEMBL10156667 0.84 HRH4 (0.42) HRH4
SCHEMBL4125312 0.71 IKBKB (0.51) HRH4IKBKBKAT2BCDK1CCNA2
SCHEMBL14147226 0.71 MAPK1 (0.54) HRH4IKBKBKAT2BCDK1CCNA2
SCHEMBL28447539 0.70 KAT2B (0.45) HRH4IKBKBKAT2BCDK1CCNA2
SCHEMBL12824674 0.70 CCNK (0.47) HRH4IKBKBKAT2BCDK1CCNA2
SCHEMBL22895374 0.70 MAPK1 (0.53) IKBKBKAT2B
SCHEMBL359361 0.70
SCHEMBL81623 0.70
SCHEMBL172577 0.70
Hydrochloric Acid SCHEMBL4335250 0.68 KAT2B (0.36) HRH4KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US disclosed
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 US disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 US disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 US disclosed
EP-1903044-A1 Adenosine Derivatives as A2A Receptor Agonists Novartis AG (CH) 2008-03-26 EP disclosed
WO-2008031875-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-03-20 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-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS ADORA2A, ADORA2B, ADORA1 HRH4 248/4885IKBKB 1384/4885KAT2B 3824/4885

“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.