SCHEMBL5453542

SCHEMBL5453542

Nc1nc(N(C2CCCC2)C2CCCC2)nc2c(-c3ccnc(NC4CCCC4)c3)c(-c3ccccc3)nn12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
PRKD1 Q15139 7/20 0.39
MAPK14 Q16539 3/20 0.39
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
ADORA1 P30542 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK9 P45984 5/20 0.37
MAPK10 P53779 5/20 0.37
MAPK8 P45983 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
CDC7 O00311 1/20 0.36
PRKD2 Q9BZL6 3/20 0.35

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
SCHEMBL5568711 0.80 RAB9A (0.47) RAB9APRKD1MAPK14MAPK9MAPK10
SCHEMBL14373999 0.78 PRKD1 (0.44) RAB9APRKD1MAPK14ADORA2AADORA1
SCHEMBL5565905 0.77 PRKD1 (0.42) PRKD1MAPK14MAPK9MAPK10MAPK8
SCHEMBL6495107 0.71 MEN1 (0.42) RAB9AADORA2AADORA2BADORA1MEN1
SCHEMBL5567859 0.71 MAPK14 (0.48) MAPK14MAPK9MAPK8
SCHEMBL5563977 0.69 MAPK10 (0.45) MAPK14MAPK10MEN1KMT2A
SCHEMBL5457302 0.66 MAPK14 (0.50) MAPK14MAPK9MAPK8
SCHEMBL5450469 0.66 RAB9A (0.40) RAB9AMAPK14ADORA2AADORA2BADORA1
SCHEMBL5212300 0.63 MAPK14 (0.39) PRKD1MAPK14ADORA2AADORA2BADORA1
SCHEMBL5211163 0.63 MAPK14 (0.42) PRKD1MAPK14MAPK10CDC7PRKD2

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-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them GUDMUNDSSON KRISTJAN 2007-10-04 US claimed
EP-1485385-B1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP claimed
US-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION 2005-06-09 US claimed
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them GUDMUNDSSON KRISTJAN 2007-10-04 US disclosed
US-7247626-B2 Pyrazolopyrimidine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION (US) 2007-07-24 US disclosed
EP-1485385-B1 PYRAZOLOPYRIMIDINE AND PYRAZOLOTRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
US-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORPORATION 2005-06-09 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-20050124616-A1 Pyrazolopyrimidine and pyrazolotriazine derivatives and pharmaceutical compositions containing them CYP3A5, CYP3A4, CYP3A7 RAB9A 3001/4885PRKD1 1025/4885MAPK14 2705/4885
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them CYP3A5, CYP3A4, CYP3A7 RAB9A 3001/4885PRKD1 1025/4885MAPK14 2705/4885

“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.