SCHEMBL639918

SCHEMBL639918

Cc1cc(N[C@H]2CCNC2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.50
ATAD2 Q6PL18 3/20 0.50
AXL P30530 3/20 0.46
ITK Q08881 1/20 0.45
PLK4 O00444 1/20 0.42
MAPK1 P28482 2/20 0.42
MAP4K1 Q92918 1/20 0.42
PRKCI P41743 3/20 0.41
HRH4 Q9H3N8 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HRH2 P25021 1/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 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
SCHEMBL639919 1.00 BRD4 (0.50) BRD4ATAD2AXLITKPLK4
SCHEMBL20281443 0.91 BRD4 (0.52) BRD4ATAD2ITKMAPK1PRKCI
SCHEMBL12634148 0.91 BRD4 (0.48) BRD4ATAD2ITKPLK4MAPK1
Hydrochloric Acid SCHEMBL1871565 0.89 BRD4 (0.47) BRD4ATAD2ITKPLK4MAPK1
SCHEMBL17303561 0.87 HRH3 (0.45) BRD4ATAD2MAPK1HRH3CCNT1
SCHEMBL20281605 0.81 BRD4 (0.45) BRD4ATAD2AXLITKPLK4
SCHEMBL20281480 0.81 BRD4 (0.45) BRD4ATAD2AXLITKPLK4
SCHEMBL20281481 0.81 BRD4 (0.45) BRD4ATAD2AXLITKPLK4
SCHEMBL14416945 0.77 PRKCI (0.49) AXLITKPLK4PRKCI
SCHEMBL639635 0.77 PRKCI (0.49) AXLITKPLK4PRKCI

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-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
CN-101528712-B Substituted benzimidazolone derivatives, medicaments containing them and the use thereof ABBOTT GMBH & CO KG 2013-10-30 CN disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 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 (2 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A BRD4 292/4885ATAD2 2517/4885AXL 4261/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A BRD4 292/4885ATAD2 2517/4885AXL 4261/4885

“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.