SCHEMBL4131760

SCHEMBL4131760

Cc1ccc(NC2CCNC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITK Q08881 3/20 0.50
AXL P30530 4/20 0.45
BRD4 O60885 4/20 0.45
ATAD2 Q6PL18 4/20 0.45
PLK4 O00444 1/20 0.41
KCNH2 Q12809 1/20 0.41
CHEK2 O96017 1/20 0.41
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
PRKCI P41743 1/20 0.39

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
SCHEMBL24171954 0.89 ITK (0.52) ITKBRD4
SCHEMBL1844312 0.89 ITK (0.48) ITKAXLBRD4ATAD2TYRO3
Hydrochloric Acid SCHEMBL5180141 0.87 ITK (0.47) ITKAXLBRD4ATAD2TYRO3
SCHEMBL28266386 0.81 AXL (0.42) ITKAXLBRD4ATAD2PLK4
SCHEMBL6216444 0.81 POLB (0.50) AXLPLK4CHEK2
SCHEMBL4634218 0.81 HTR6 (0.46) ITKAXLPLK4CHEK2PRKCI
SCHEMBL9536802 0.81 AXL (0.42) ITKAXLPLK4KCNH2CHEK2
SCHEMBL5392079 0.81 PLK4 (0.56) ITKAXLPLK4KCNH2PRKCI
SCHEMBL21460303 0.81 KCNH2 (0.43) ITKAXLBRD4ATAD2KCNH2
SCHEMBL2305510 0.81 AXL (0.42) ITKAXLBRD4ATAD2PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
EP-1888528-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-02-20 EP disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
WO-2006135828-A2 TRISUBSTITUTED AMINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-12-21 WO disclosed
EP-1675584-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-05 EP disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US 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 (4 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF ITK 303/4885AXL 549/4885BRD4 537/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF ITK 303/4885AXL 549/4885BRD4 537/4885
US-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B ITK 1714/4885AXL 3824/4885BRD4 275/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B ITK 1714/4885AXL 3824/4885BRD4 275/4885

“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.