SCHEMBL2805403

SCHEMBL2805403

Cc1cc(Nc2ccccc2C(F)(F)F)cnc1CNC(=O)C1(NC(=O)c2cncc(N)c2)CCOC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.38
DHODH Q02127 1/20 0.33
MAPK9 P45984 2/20 0.33
MAPK10 P53779 2/20 0.33
ALOX5 P09917 1/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
NTRK1 P04629 1/20 0.31
EPHB2 P29323 1/20 0.31
DDR1 Q08345 1/20 0.31
DDR2 Q16832 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3C2B O00750 1/20 0.31
PDE2A O00408 1/20 0.31
CNR2 P34972 1/20 0.31
CTSA P10619 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL185507 1.00 BDKRB1 (0.38) BDKRB1DHODHMAPK9MAPK10ALOX5
SCHEMBL186879 0.93 BDKRB1 (0.44) BDKRB1DHODHALOX5EPHX2MEN1
SCHEMBL185964 0.92 BDKRB1 (0.36) BDKRB1DHODHMAPK9MAPK10PDE2A
SCHEMBL2809999 0.92 BDKRB1 (0.36) BDKRB1DHODHMAPK9MAPK10PDE2A
SCHEMBL2808496 0.92 BDKRB1 (0.37) BDKRB1ALOX5EPHX2CTDSP1CNR2
SCHEMBL185798 0.92 BDKRB1 (0.37) BDKRB1ALOX5EPHX2CTDSP1CNR2
SCHEMBL2808176 0.92 BDKRB1 (0.36) BDKRB1ALOX5EPHX2HTTCTDSP1
SCHEMBL197308 0.92 BDKRB1 (0.36) BDKRB1ALOX5EPHX2HTTCTDSP1
SCHEMBL2808203 0.91 CNR2 (0.38) BDKRB1DDR1PDE2ACNR2
SCHEMBL185700 0.91 CNR2 (0.38) BDKRB1DDR1PDE2ACNR2

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 BDKRB1 289/4885DHODH 2925/4885MAPK9 2738/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885DHODH 2925/4885MAPK9 2738/4885

“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.