SCHEMBL1015963

SCHEMBL1015963

COc1cc(-c2c(-c3ccncc3)n[nH]c2N)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.51
BRAF P15056 4/20 0.48
LRRK2 Q5S007 3/20 0.46
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
RIPK2 O43353 1/20 0.38
CDC7 O00311 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL1016280 0.85 LRRK2 (0.46) BRAFLRRK2KDM4EALDH1A1MAPK11
SCHEMBL3653300 0.80 MAPK14 (0.54) DYRK1ABRAFKDM4EALDH1A1CDC7
SCHEMBL1017069 0.77 MAPK14 (0.51) DYRK1ABRAFLRRK2KDM4ECDC7
SCHEMBL5255543 0.77 MAPK11 (0.52) BRAFIKBKBMAPK11MAPK14
SCHEMBL15452462 0.76 ACHE (0.56) KDM4EALDH1A1CDK4CCND1CDK2
Ammonia Solution, Strong SCHEMBL1018877 0.74 DYRK1A (0.47) DYRK1ABRAFLRRK2TEKMAPK14
SCHEMBL5258975 0.73 DYRK1A (0.46) DYRK1ABRAFKDM4EALDH1A1IKBKB
SCHEMBL6177789 0.71 MAPK14 (0.59) BRAFMAP4K4GSK3BCLK4MAPK11
SCHEMBL7491106 0.71 MAPK14 (0.59) BRAFMAP4K4GSK3BCLK4MAPK11
SCHEMBL8836663 0.70 MAPK14 (0.47) LRRK2MAP4K4PRKACAGSK3BCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 US disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 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-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF DYRK1A 554/4885BRAF 1/4885LRRK2 671/4885

“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.