SCHEMBL2807707

SCHEMBL2807707

CN(C(=O)[C@]1(NC(=O)c2cncnc2)CCOC1)c1ccc(Nc2cc(F)ccc2C(F)(F)F)cn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
BDKRB1 P46663 4/20 0.34
BACE1 P56817 1/20 0.33
WNT3A P56704 2/20 0.33
RAF1 P04049 3/20 0.33
EGFR P00533 1/20 0.32
BRAF P15056 1/20 0.32
CNR2 P34972 1/20 0.32
MAPK9 P45984 2/20 0.31
MAPK10 P53779 2/20 0.31
OPRL1 P41146 2/20 0.31
ALOX15 P16050 1/20 0.31
PDE10A Q9Y233 1/20 0.31
AURKA O14965 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
SCHEMBL2808302 0.94 BACE1 (0.33) MAPK3MAPK1BDKRB1BACE1RAF1
SCHEMBL2805743 0.92 BDKRB1 (0.34) MAPK3MAPK1BDKRB1WNT3AEGFR
SCHEMBL185040 0.91 MAPK3 (0.34) MAPK3MAPK1RAF1MAPK10OPRL1
SCHEMBL2806523 0.86 BDKRB1 (0.33) BDKRB1BACE1WNT3ARAF1BRAF
SCHEMBL2805105 0.86 BDKRB1 (0.34) BDKRB1EGFRBRAFMAPK9MAPK10
SCHEMBL185136 0.85 OPRL1 (0.32) MAPK3MAPK1CNR2OPRL1
SCHEMBL2807704 0.83 BDKRB1 (0.36) MAPK3MAPK1BDKRB1BACE1WNT3A
SCHEMBL14856612 0.83 MAPK10 (0.33) MAPK3MAPK1BRAFMAPK10ALOX15
SCHEMBL2804889 0.82 MAPK9 (0.36) BDKRB1BRAFMAPK9MAPK10AURKA
SCHEMBL2809231 0.80 DHODH (0.35) BDKRB1EGFRBRAFMAPK9MAPK10

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 MAPK3 4162/4885MAPK1 2941/4885BDKRB1 289/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MAPK3 4162/4885MAPK1 2941/4885BDKRB1 289/4885

“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.