SCHEMBL2811232

SCHEMBL2811232

Cc1cccc(C(F)(F)F)c1Nc1ccc(N(C)C(=O)C2(NC(=O)c3cncnc3)CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LCK P06239 3/20 0.34
KIT P10721 3/20 0.34
SRC P12931 3/20 0.34
MAPK14 Q16539 3/20 0.34
BDKRB1 P46663 5/20 0.34
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.32
RIPK1 Q13546 1/20 0.32
MAPT P10636 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
MPL P40238 1/20 0.31
KDR P35968 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL2809213 0.92 JAK1 (0.34) BRAFLCKKITSRCMAPK14
SCHEMBL186646 0.90 L3MBTL1 (0.35) BRAFL3MBTL1LCKMAPTGPBAR1
SCHEMBL2804889 0.87 MAPK9 (0.36) BRAFLCKKITSRCMAPK14
SCHEMBL2806523 0.84 BDKRB1 (0.33) BRAFBDKRB1MPL
SCHEMBL2809231 0.83 DHODH (0.35) BRAFLCKKITSRCMAPK14
SCHEMBL2811231 0.83 BDKRB1 (0.43) BRAFLCKKITSRCMAPK14
SCHEMBL2805743 0.82 BDKRB1 (0.34) BRAFBDKRB1EGFRHDAC3HDAC1
SCHEMBL2805105 0.82 BDKRB1 (0.34) BRAFLCKKITSRCMAPK14
SCHEMBL186120 0.82 JAK1 (0.34) LCKMPLKDR
SCHEMBL2806524 0.82 BRAF (0.38) BRAFLCKKITSRCMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BRAF 3144/4885L3MBTL1 3608/4885LCK 3975/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BRAF 3144/4885L3MBTL1 3608/4885LCK 3975/4885

“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.