SCHEMBL1740256

SCHEMBL1740256

FC(F)(F)c1ccc(-c2cnc(Cl)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.54
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
SCN2A Q99250 2/20 0.41
NFKB1 P19838 2/20 0.41
MAP4K4 O95819 1/20 0.41
ATF1 P18846 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
COMT P21964 1/20 0.40
MAOB P27338 1/20 0.40
CYP19A1 P11511 1/20 0.40
JUN P05412 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL1744141 0.82 KIF11 (0.52) KIF11DYRK1ADYRK2CA12CA9
SCHEMBL28950239 0.79 KIF11 (0.54) KIF11CA12CA9SCN2AMAP4K4
SCHEMBL29818212 0.79 KIF11 (0.59) KIF11MAP4K4ALDH1A1MAPTMAOB
SCHEMBL1549633 0.79 KIF11 (0.54) KIF11CA12CA9SCN2ANFKB1
SCHEMBL11468663 0.79 KIF11 (0.59) KIF11DYRK1ADYRK2CA12CA9
SCHEMBL485196 0.77 NFKB1 (0.46) NFKB1ATF1ALDH1A1MAPTHTT
SCHEMBL13410633 0.76 KIF11 (0.78) KIF11ALDH1A1MAOB
SCHEMBL197238 0.76 KIF11 (0.78) KIF11ALDH1A1MAOB
SCHEMBL29914837 0.76 KIF11 (0.78) KIF11ALDH1A1MAOB
SCHEMBL1744212 0.76 TXN (0.46) MAP4K4NPC1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521290-A Preparation of 1, 4-disubstituted indole compound and anti-tumor application thereof 四川大学华西医院 2022-12-27 CN disclosed
WO-2015028989-A1 NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2015-03-05 WO disclosed
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 US disclosed
EP-2233470-B1 Histamine H3 receptor antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2011-12-07 EP disclosed
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
EP-2233470-A1 Histamine H3 receptor antagonists High Point Pharmaceuticals, LLC (US) 2010-09-29 EP disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US disclosed
EP-1902028-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS Novo Nordisk A/S (DK) 2008-03-26 EP disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 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 (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-20120232078-A1 Novel Medicaments HRH3, HRH4, HRH1 KIF11 4100/4885DYRK1A 3330/4885DYRK2 3292/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 KIF11 4100/4885DYRK1A 3330/4885DYRK2 3292/4885

“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.