SCHEMBL5992

SCHEMBL5992

Cc1cccc(NC2=NCCC2)c1Br

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
ADRA2A P08913 3/20 0.54
ADRA2B P18089 3/20 0.54
ADRA2C P18825 3/20 0.54
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 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
SCHEMBL6056 0.84 POLB (0.59) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL6021 0.83 ADRA2A (0.65) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL6400 0.82 POLB (0.87) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL6475 0.81 ADRA2A (0.62) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL5565 0.81 ADRA2A (0.54) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL5627 0.81 ADRA2A (0.50) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL6104 0.79 POLB (0.54) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL6690739 0.75 ADRA2A (0.54) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL10857050 0.75 ADRA2A (0.54) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL5896 0.75 ADRA2A (0.54) POLBADRA2AADRA2BADRA2CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491017-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2014-08-27 EP claimed
US-20120238615-A1 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2012-09-20 US claimed
CN-102666484-A Adrenergic receptor modulators ALLERGAN INC 2012-09-12 CN claimed
EP-2491017-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-29 EP claimed
WO-2011050030-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-28 WO claimed
EP-2491017-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2014-08-27 EP disclosed
US-20120238615-A1 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2012-09-20 US disclosed
CN-102666484-A Adrenergic receptor modulators ALLERGAN INC 2012-09-12 CN disclosed
EP-2491017-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-29 EP disclosed
WO-2011050030-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-28 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-20120238615-A1 Alpha adrenergic receptor modulators ADRA2C, ADRB2, ADRB1 POLB 2372/4885ADRA2A 4/4885ADRA2B 6/4885

“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.