SCHEMBL3591304

SCHEMBL3591304

Nc1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
BACE1 P56817 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
CACNA1H O95180 4/20 0.47
FABP6 P51161 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
PLAU P00749 1/20 0.41
NPY5R Q15761 1/20 0.40
AR P10275 3/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1C Q13936 1/20 0.39
MASP2 O00187 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NUDT1 P36639 1/20 0.38
KMT2A Q03164 1/20 0.38
AOC3 Q16853 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
SCHEMBL5681325 0.93 HTR3E (0.49) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL5682259 0.86 CACNA1H (0.62) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL2418522 0.83 EGLN1 (0.49) CACNA1HEGLN1NPY5RARCACNA1G
SCHEMBL14531739 0.80 EGLN1 (0.47) CACNA1HEGLN1NPY5RARCACNA1G
SCHEMBL13408169 0.80 MAPT (0.57) CACNA1HEGLN1NPY5RARCACNA1G
SCHEMBL7795887 0.80 EGLN1 (0.47) CACNA1HEGLN1NPY5RARCACNA1G
SCHEMBL216056 0.80 HTR3E (0.60) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL14655355 0.79 HTR3E (0.42) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL11363828 0.79 CACNA1H (0.46) HTR3EHTR3BHTR3ABACE1HTR3D
Hydrochloric Acid SCHEMBL30633447 0.78 HTR3E (0.58) HTR3EHTR3BHTR3ABACE1HTR3D

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
EP-1653951-B1 BENZIMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-12-28 EP disclosed
US-7691886-B2 Benzimidazole derivatives as raf kinase inhibitors MERCK PATENT GMBH (DE) 2010-04-06 US disclosed
US-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
EP-1653951-A1 BENZIMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS MERCK PATENT GmbH (DE) 2006-05-10 EP disclosed
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 EP disclosed
WO-2005004864-A1 BENZIMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-01-20 WO disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 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-20070010560-A1 angiogenesis, in particular in tumors, restenoses, diabetic retinopathy, macular degenerative disease or rheumatoid arthritis BRAF, RAF1, VEGFA HTR3E 3678/4885HTR3B 3438/4885HTR3A 4229/4885

“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.