SCHEMBL4391392

SCHEMBL4391392

Brc1ccc(-c2ncc(Br)cc2-c2ccccc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.45
PRKD3 O94806 2/20 0.45
MAP4K4 O95819 2/20 0.45
FER P16591 2/20 0.45
CDK2 P24941 2/20 0.45
MARK3 P27448 2/20 0.45
FLT4 P35916 2/20 0.45
FLT3 P36888 2/20 0.45
CLK2 P49760 2/20 0.45
CSNK2A1 P68400 2/20 0.45
MAP4K2 Q12851 2/20 0.45
STK3 Q13188 2/20 0.45
CAMK2B Q13554 2/20 0.45
CAMK2G Q13555 2/20 0.45
NTRK3 Q16288 2/20 0.45
MARK2 Q7KZI7 2/20 0.45
MINK1 Q8N4C8 2/20 0.45
HIPK4 Q8NE63 2/20 0.45
AURKB Q96GD4 2/20 0.45
PRKD2 Q9BZL6 2/20 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
SCHEMBL4384165 0.85 PTGS1 (0.48) DYRK1APRKD3MAP4K4FERCDK2
SCHEMBL1182292 0.78 LDHA (0.52) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL4109716 0.75 DYRK1A (0.41) DYRK1APRKD3MAP4K4FERCDK2
SCHEMBL28108914 0.74 PLK4 (0.53) DYRK1APRKD3MAP4K4FERCDK2
SCHEMBL12523554 0.74 MAPK1 (0.56) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2482041 0.74 HSD17B1 (0.47) DYRK1APRKD3MAP4K4FERCDK2
SCHEMBL15747736 0.73 NPC1 (0.53) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL13917369 0.72 HSD17B1 (0.48) DYRK1APRKD3MAP4K4FERCDK2
SCHEMBL20176937 0.72 PLK4 (0.41) DYRK1APRKD3MAP4K4FERCDK2
SCHEMBL29776344 0.72 PLK4 (0.41) DYRK1APRKD3MAP4K4FERCDK2

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
US-8084608-B2 2,2′ -bipyridine derivative having a reactive silyl group, its production method, and transition metal complex SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20090299068-A1 2,2' -BIPYRIDINE DERIVATIVE HAVING A REACTIVE SILYL GROUP, ITS PRODUCTION METHOD, AND TRANSITION METAL COMPLEX SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-03 US disclosed
EP-2128165-A1 2, 2´-bipyridine derivatives having reactive silyl group, production methods, transition metal complexes thereof Shin-Etsu Chemical Co., Ltd. (JP) 2009-12-02 EP 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-20090299068-A1 2,2' -BIPYRIDINE DERIVATIVE HAVING A REACTIVE SILYL GROUP, ITS PRODUCTION METHOD, AND TRANSITION METAL COMPLEX CBR3, TST, HRH3 DYRK1A 3822/4885PRKD3 3323/4885MAP4K4 3543/4885

“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.