SCHEMBL4382270

SCHEMBL4382270

C=Cc1cc(Br)cnc1-c1ccc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
PLAU P00749 1/20 0.33
NPC1 O15118 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DYRK1A Q13627 2/20 0.30
SPR P35270 1/20 0.30

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
SCHEMBL4392033 0.82 KDM4E (0.39) NPC1KDM4EALDH1A1
SCHEMBL4394090 0.76 NPC1 (0.35) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL4383276 0.73 S1PR1 (0.37) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL15335189 0.72 SMN1; SMN2 (0.35) KDM4EALDH1A1DYRK1A
SCHEMBL17502186 0.71 HTT (0.41) KDM4EALDH1A1DYRK1A
SCHEMBL40864 0.70 KDM4E (0.46) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL4383311 0.69 GBA1 (0.40) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL4391392 0.68 DYRK1A (0.45) NPC1KDM4EALDH1A1DYRK1A
SCHEMBL31171647 0.65
SCHEMBL1241251 0.65

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 ADRA2A 2089/4885ADRA2B 1610/4885ADRA2C 1805/4885

“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.