SCHEMBL4995461

SCHEMBL4995461

COc1cc(Nc2cncc(-c3ccc(C(N)=O)cc3)n2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 1.00
RAF1 P04049 1/20 1.00
PIM3 Q86V86 1/20 0.52

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
SCHEMBL12857594 0.85 BRAF (0.82) BRAFRAF1PIM3
SCHEMBL1122101 0.85 BRAF (1.00) BRAFRAF1
SCHEMBL1121932 0.85 BRAF (0.78) BRAFRAF1
SCHEMBL1122550 0.84 BRAF (0.81) BRAFRAF1
SCHEMBL1122531 0.83 BRAF (0.70) BRAFRAF1PIM3
SCHEMBL1122283 0.83 BRAF (0.70) BRAFRAF1PIM3
SCHEMBL1121896 0.82 BRAF (0.78) BRAFRAF1
SCHEMBL1122028 0.82 BRAF (0.81) BRAFRAF1
SCHEMBL1122572 0.82 BRAF (1.00) BRAFRAF1
SCHEMBL12857460 0.82 BRAF (0.81) BRAFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed
EP-1694670-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC Biotech AG (DE) 2006-08-30 EP claimed
WO-2005058876-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC BIOTECH AG (DE) 2005-06-30 WO claimed
US-8987263-B2 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-03-24 US disclosed
EP-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 EP disclosed
US-7737152-B2 6-carboaryl-oxy-pyrazin-2-yl-carboaryl-amines and compositions comprising said compounds THE WELLCOME TRUST LIMITED (GB) 2010-06-15 US disclosed
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
EP-1694670-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC Biotech AG (DE) 2006-08-30 EP disclosed
US-20060173053-A1 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-08-03 US disclosed
EP-1551495-A2 BASIC ESTERS OF FATTY ALCOHOLS AND THEIR USE AS ANTI-INFLAMMATORY OR IMMUNOMODULATORY AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-07-13 EP disclosed
WO-2005058876-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC BIOTECH AG (DE) 2005-06-30 WO disclosed
WO-2004032824-A2 BASIC ESTERS OF FATTY ALCOHOLS AND THEIR USE AS ANTI-INFLAMMATORY OR IMMUNOMODULATORY AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-04-22 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 (3 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-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds BRAF, RAF1, BCOR BRAF 1/4885RAF1 2/4885PIM3 1437/4885
US-20060173053-A1 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents ALOX12, ALOX15, ALOX15B BRAF 1723/4885RAF1 1918/4885PIM3 4316/4885
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C BRAF 478/4885RAF1 1087/4885PIM3 1429/4885

“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.