SCHEMBL2085648

SCHEMBL2085648

Cc1ccc(-n2nc(C(C)(C)C)cc2C(=O)Nc2ccc(C)c(-n3cc(-c4cccnc4)nn3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.60
PTK2 Q05397 1/20 0.52
MAPK14 Q16539 1/20 0.51
TEK Q02763 1/20 0.48

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
SCHEMBL2085805 0.89 BRAF (0.73) BRAFTEK
SCHEMBL2085804 0.88 BRAF (0.61) BRAF
SCHEMBL2086210 0.84 BRAF (0.51) BRAFMAPK14
SCHEMBL2086727 0.82 BRAF (0.53) BRAF
SCHEMBL2086728 0.81 BRAF (0.52) BRAF
SCHEMBL2085919 0.80 BRAF (0.52) BRAF
SCHEMBL4017129 0.77 BRAF (0.51) BRAFTEK
SCHEMBL4013698 0.77 ABL1 (0.53) BRAFTEK
SCHEMBL2083847 0.76 BRAF (0.73) BRAF
SCHEMBL15133847 0.75 BRAF (1.00) BRAF

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-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US claimed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US claimed
US-8198308-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 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 (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-20110059938-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 BRAF 366/4885PTK2 811/4885MAPK14 2013/4885
US-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 BRAF 366/4885PTK2 811/4885MAPK14 2013/4885

“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.