SCHEMBL6056

SCHEMBL6056

Cc1cccc(NC2=NCCC2)c1C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
ADRA2A P08913 3/20 0.57
ADRA2B P18089 3/20 0.57
ADRA2C P18825 3/20 0.57
KMT2A Q03164 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6021 0.86 ADRA2A (0.65) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL6690739 0.84 ADRA2A (0.54) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL5992 0.84 POLB (0.60) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL6475 0.84 ADRA2A (0.62) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL5565 0.84 ADRA2A (0.54) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL10857050 0.84 ADRA2A (0.54) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL5896 0.84 ADRA2A (0.54) POLBADRA2AADRA2BADRA2CKMT2A
SCHEMBL5784 0.84 ADRA2A (0.71) POLBADRA2AADRA2BADRA2CKMT2A
Hydrochloric Acid SCHEMBL10368158 0.83 ADRA2A (0.53) POLBADRA2AADRA2BADRA2CKMT2A
Hydrochloric Acid SCHEMBL6892538 0.83 ADRA2A (0.53) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238615-A1 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2012-09-20 US 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
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.