SCHEMBL2806524

SCHEMBL2806524

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.38
LCK P06239 2/20 0.36
KIT P10721 2/20 0.36
SRC P12931 2/20 0.36
MAPK14 Q16539 2/20 0.36
BDKRB1 P46663 3/20 0.34
POLQ O75417 2/20 0.34
PDE10A Q9Y233 2/20 0.34
DHODH Q02127 2/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33
PSMA4 P25789 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33

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) BRAFLCKKITSRCMAPK14
SCHEMBL2809231 0.92 DHODH (0.35) BRAFLCKKITSRCMAPK14
SCHEMBL2809360 0.91 BDKRB1 (0.33) BRAFLCKKITSRCMAPK14
SCHEMBL2808764 0.91 CNR2 (0.38) BRAFBDKRB1MAPK9MAPK10
SCHEMBL186205 0.90 LIPE (0.36) BRAFMAPK14POLQPDE10ADHODH
SCHEMBL2804955 0.90 PIK3CA (0.36) BDKRB1DHODHMAPK10ABL1EGFR
SCHEMBL2804889 0.89 MAPK9 (0.36) BRAFLCKKITSRCMAPK14
SCHEMBL2805743 0.87 BDKRB1 (0.34) BRAFBDKRB1PDE10AMAPK9MAPK10
SCHEMBL2808302 0.85 BACE1 (0.33) BDKRB1PDE10AMAPK9MAPK10
SCHEMBL185613 0.83 SMO (0.33) PDE10AMAPK10LIPE

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 3144/4885LCK 3975/4885KIT 989/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BRAF 3144/4885LCK 3975/4885KIT 989/4885

“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.