SCHEMBL6522934

SCHEMBL6522934

CC(N)CNc1nccc(-c2[nH]c(C3(C)CC3)nc2Br)n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.43
CDC7 O00311 2/20 0.37
HRH4 Q9H3N8 4/20 0.35
MAPK13 O15264 1/20 0.31
RAF1 P04049 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL6522717 1.00 BRAF (0.43) BRAFCDC7HRH4MAPK13RAF1
SCHEMBL12830992 0.86 BRAF (0.44) BRAFCDC7MAPK13RAF1MAPK9
SCHEMBL1494675 0.84 BRAF (0.53) BRAF
SCHEMBL6525657 0.83 BRAF (0.63) BRAF
SCHEMBL6525655 0.83 BRAF (0.63) BRAF
SCHEMBL1494641 0.81 BRAF (0.59) BRAFCDC7
SCHEMBL6524726 0.80 BRAF (0.49) BRAF
SCHEMBL6524719 0.80 BRAF (0.49) BRAF
Ammonia Solution, Strong SCHEMBL6522718 0.78 BRAF (0.33) BRAF
SCHEMBL6525129 0.78 BRAF (0.46) 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-8859548-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2014-10-14 US disclosed
EP-2470528-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2014-10-01 EP disclosed
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS AG (CH) 2014-01-09 US disclosed
US-8563553-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-09-06 US disclosed
US-8242260-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
US-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-03 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 (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-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF BRAF 2/4885CDC7 226/4885HRH4 2180/4885
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF BRAF 2/4885CDC7 226/4885HRH4 2180/4885
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF BRAF 2/4885CDC7 226/4885HRH4 2180/4885

“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.