SCHEMBL2809360

SCHEMBL2809360

CN(C(=O)C1(NC(=O)c2cncnc2)CC1)c1ccc(Nc2ccc(Br)cc2C(F)(F)F)cn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.33
CNR2 P34972 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
BRAF P15056 2/20 0.32
EGFR P00533 2/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
FPR2 P25090 1/20 0.31
LCK P06239 1/20 0.30
KIT P10721 1/20 0.30
SRC P12931 1/20 0.30
MAPK14 Q16539 1/20 0.30
KDR P35968 1/20 0.30
GRM5 P41594 1/20 0.30
PTK2 Q05397 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
SCHEMBL2805105 0.92 BDKRB1 (0.34) BDKRB1MAPK9MAPK10BRAFEGFR
SCHEMBL2809231 0.91 DHODH (0.35) BDKRB1MAPK9MAPK10BRAFEGFR
SCHEMBL2806524 0.91 BRAF (0.38) BDKRB1MAPK9MAPK10BRAFEGFR
SCHEMBL185910 0.90 FAAH (0.32) CNR2EGFRFPR2KDR
SCHEMBL2808764 0.90 CNR2 (0.38) BDKRB1CNR2MAPK9MAPK10BRAF
SCHEMBL2804955 0.89 PIK3CA (0.36) BDKRB1CNR2MAPK10EGFRHDAC3
SCHEMBL2804889 0.88 MAPK9 (0.36) BDKRB1MAPK9MAPK10BRAFHDAC3
SCHEMBL2805683 0.88 MAPT (0.35) BDKRB1EGFRFPR2GRM5
SCHEMBL2805743 0.87 BDKRB1 (0.34) BDKRB1MAPK9MAPK10BRAFEGFR
SCHEMBL2808302 0.84 BACE1 (0.33) BDKRB1CNR2MAPK9MAPK10HDAC3

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 289/4885CNR2 882/4885MAPK9 2738/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR2 882/4885MAPK9 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.