SCHEMBL266205

SCHEMBL266205

N#Cc1ccnc2c(F)cc(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.40
CDK8 P49336 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK9 P50750 1/20 0.40
CDK5 Q00535 1/20 0.40
CHRM4 P08173 1/20 0.39
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TRPV4 Q9HBA0 2/20 0.34
RORC P51449 1/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
EGLN2 Q96KS0 3/20 0.34
MAP4K4 O95819 1/20 0.33
AR P10275 1/20 0.33
PDE10A Q9Y233 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL4522163 0.77 PARP1 (0.41) GSK3AGSK3BCDK5CLK2DYRK1A
SCHEMBL5260883 0.77 CDK8 (0.43) DYRK1BCDK8GSK3AGSK3BCDK9
Hydrochloric Acid SCHEMBL5259295 0.75 CDK8 (0.42) DYRK1BCDK8GSK3AGSK3BCDK9
SCHEMBL264831 0.74 CCNC (0.45) DYRK1BCDK8CHRM4CLK1CLK2
SCHEMBL25216590 0.73 CCR1 (0.45) CDK9CLK4GRM4
SCHEMBL30492608 0.73 CCR1 (0.45) CDK9CLK4GRM4
SCHEMBL13577838 0.73 CCR1 (0.52) DYRK1BCDK8GSK3AGSK3BCDK9
SCHEMBL20277757 0.73 CDK8 (0.43) DYRK1BCDK8GSK3AGSK3BCDK9
6,8-Difluoroquinolin-4(1H)-One SCHEMBL2207039 0.73 CDK8 (0.46) DYRK1BCDK8GSK3AGSK3BCDK9
4-Chloro-6,8-Difluoroquinoline SCHEMBL264453 0.73 CDK8 (0.43) DYRK1BCDK8GSK3AGSK3BCDK9

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-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
EP-2044018-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS Pfizer Japan, Inc. (JP) 2009-04-08 EP disclosed
WO-2008090434-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-07-31 WO disclosed
WO-2008007211-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-01-17 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 DYRK1B 4577/4885CDK8 2648/4885GSK3A 3506/4885

“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.