SCHEMBL5452871

SCHEMBL5452871

FC(F)(F)c1ccc2nc(Nc3ccc(Oc4cccnc4)cc3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
KDR P35968 9/20 0.54
TEK Q02763 7/20 0.54
RAF1 P04049 4/20 0.54
BRAF P15056 3/20 0.54
CSNK1A1 P48729 2/20 0.53
CSNK1D P48730 2/20 0.53
PDE10A Q9Y233 4/20 0.53
GSK3B P49841 1/20 0.53
CSNK1G2 P78368 1/20 0.53
DGAT1 O75907 1/20 0.50
KCNH2 Q12809 1/20 0.50
CDK1 P06493 1/20 0.45

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
SCHEMBL4164511 0.88 KDR (0.67) DYRK1ADYRK1BKDRTEKRAF1
SCHEMBL4161663 0.84 CACNA1H (0.52) KDRTEKRAF1BRAFCSNK1A1
SCHEMBL4164550 0.84 CSNK1A1 (0.59) KDRRAF1BRAFCSNK1A1CSNK1D
SCHEMBL4172506 0.84 KDR (0.48) KDRTEKRAF1BRAFCSNK1A1
SCHEMBL4167598 0.84 CDK1 (0.46) KDRTEKRAF1BRAFCSNK1A1
SCHEMBL4169753 0.83 KDR (0.61) KDRTEKRAF1BRAFCSNK1A1
SCHEMBL4164725 0.81 CSNK1A1 (0.52) KDRRAF1BRAFCSNK1A1CSNK1D
SCHEMBL4173611 0.81 CSNK1D (0.52) KDRTEKRAF1BRAFCSNK1A1
SCHEMBL30822918 0.80 DYRK1A (0.68) DYRK1ADYRK1BKDRTEKRAF1
SCHEMBL4170478 0.78 PDE10A (0.52) KDRRAF1CSNK1A1CSNK1DPDE10A

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-20070066660-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US claimed
US-20090082404-A1 BENZIMIDAZOLES MERCK PATENT GMBH (DE) 2009-03-26 US disclosed
US-20090082404-A1 BENZIMIDAZOLES MERCK PATENT GMBH (DE) 2009-03-26 US disclosed
US-7470702-B2 Benzimidazoles MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-7470702-B2 Benzimidazoles MERCK PATENT GMBH (DE) 2008-12-30 US disclosed
US-20070066660-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
US-20070066660-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-03-22 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-20090082404-A1 BENZIMIDAZOLES TIE1, KDR, FLT1 DYRK1A 2189/4885DYRK1B 1877/4885KDR 2/4885
US-20070066660-A1 Benzimidazolyl derivatives TIE1, ECE2, ABL1 DYRK1A 801/4885DYRK1B 582/4885KDR 5/4885

“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.