SCHEMBL1853872

SCHEMBL1853872

C=CC(N)c1ccc(Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PLAU P00749 1/20 0.35
S1PR3 Q99500 4/20 0.33
S1PR4 O95977 2/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GBA1 P04062 1/20 0.32
FDPS P14324 1/20 0.31

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
SCHEMBL20741307 0.77 ADRA2A (0.35) ADRA2AADRA2BADRA2CPLAUS1PR3
SCHEMBL20741308 0.77 ADRA2A (0.35) ADRA2AADRA2BADRA2CPLAUS1PR3
SCHEMBL9625236 0.77 ESR1 (0.42)
SCHEMBL1855200 0.74
SCHEMBL30748960 0.74 ADRA2A (0.36) ADRA2AADRA2BADRA2CPLAUS1PR3
SCHEMBL15332425 0.74 ALDH1A1 (0.35) KDM4EALDH1A1FDPS
SCHEMBL2563540 0.74 ALDH1A1 (0.35) KDM4EALDH1A1FDPS
SCHEMBL1063041 0.74 ADRA2A (0.38) ADRA2AADRA2BADRA2CPLAUS1PR3
SCHEMBL589541 0.74 ADRA2A (0.38) ADRA2AADRA2BADRA2CPLAUS1PR3
SCHEMBL2588895 0.74 ADRA2A (0.38) ADRA2AADRA2BADRA2CPLAUS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853420-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-07 US disclosed
EP-2471787-A1 New compounds Boehringer Ingelheim International GmbH (DE) 2012-07-04 EP disclosed
US-20110263565-A1 COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
EP-2324012-A1 NEW COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010012747-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 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-20110263565-A1 COMPOUNDS MKI67, CCNA1, CCNT1 ADRA2A 1185/4885ADRA2B 1141/4885ADRA2C 1145/4885

“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.