SCHEMBL2808764

SCHEMBL2808764

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.38
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
BDKRB1 P46663 3/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PROKR1 Q8TCW9 2/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
BRAF P15056 1/20 0.32

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) BDKRB1MAPK9MAPK10BRAF
SCHEMBL2809231 0.91 DHODH (0.35) BDKRB1MAPK9MAPK10BRAF
SCHEMBL2806524 0.91 BRAF (0.38) BDKRB1MAPK9MAPK10BRAF
SCHEMBL186651 0.90 CNR2 (0.39) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2809360 0.90 BDKRB1 (0.33) CNR2BDKRB1MAPK9MAPK10BRAF
SCHEMBL2804955 0.89 PIK3CA (0.36) CNR2BDKRB1PROKR1MAPK10
SCHEMBL2804889 0.88 MAPK9 (0.36) RAB9ABDKRB1SMN1; SMN2KDM4EMAPK9
SCHEMBL2805743 0.87 BDKRB1 (0.34) BDKRB1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2808302 0.84 BACE1 (0.33) CNR2BDKRB1MAPK9MAPK10
SCHEMBL185613 0.82 SMO (0.33) CNR2MAPK10

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 CNR2 882/4885RAB9A 347/4885CYP1A2 892/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885RAB9A 347/4885CYP1A2 892/4885

“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.