SCHEMBL5455719

SCHEMBL5455719

CSc1nccc(-c2c(-c3ccccc3)nn3c(NC4CCCC4)ncnc23)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CSNK1E P49674 1/20 0.40
ADORA3 P0DMS8 12/20 0.40
ADORA2A P29274 12/20 0.40
ADORA1 P30542 11/20 0.40
ADORA2B P29275 8/20 0.40
MAPK10 P53779 1/20 0.39
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
SLC2A1 P11166 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA1 Q15788 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5458126 0.87 MAPK10 (0.52) MAPK14ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5564255 0.76 MEN1 (0.41) MAPK14ADORA3ADORA2AADORA1RAB9A
SCHEMBL5450469 0.75 RAB9A (0.40) MAPK14ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5453146 0.74 ADORA3 (0.44) ADORA3ADORA2AADORA1ADORA2BRAB9A
SCHEMBL5451630 0.72 ADORA3 (0.41) ADORA3ADORA2AADORA1ADORA2BRAB9A
SCHEMBL5890617 0.69 POLB (0.39) ADORA3ADORA2AADORA1MAPK10KMT2A
SCHEMBL14373999 0.67 PRKD1 (0.44) MAPK14ADORA3ADORA2AADORA1MAPK10
SCHEMBL5458250 0.66 RAB9A (0.57) ADORA3ADORA2AADORA1RAB9AKDM4E
SCHEMBL5453634 0.66 KDM4E (0.44) ADORA3ADORA2AADORA1ADORA2BRAB9A
SCHEMBL6105435 0.66 MAPK10 (0.52) MAPK14ADORA1MAPK10RAB9A

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 4 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 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 MAPK13 2770/4885MAPK12 1822/4885MAPK11 2498/4885
US-20070232623-A1 Pyrazolopyrimidine and Pyrazolotriazine Derivatives and Pharmaceutical Compositions Containing Them CYP3A5, CYP3A4, CYP3A7 MAPK13 2770/4885MAPK12 1822/4885MAPK11 2498/4885

“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.