SCHEMBL545876

SCHEMBL545876

CC(C)(C)OC(=O)Nc1cc(Oc2ccc3ccc(C(=O)O)cc3c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.46
GCK P35557 2/20 0.45
KDM4E B2RXH2 1/20 0.42
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
RIOK2 Q9BVS4 2/20 0.41
BRAF P15056 3/20 0.39
FGFR1 P11362 6/20 0.39
KDR P35968 3/20 0.39
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
GSK3A P49840 1/20 0.38
MAPK10 P53779 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38

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
SCHEMBL546233 0.90 P2RX3 (0.45) P2RX3GCKGSK3BDYRK1ARIOK2
SCHEMBL10200809 0.82 BRAF (0.51) BRAFKDRLCKFYNPDGFRB
SCHEMBL545151 0.81 KDM4E (0.45) KDM4EBRAFKDR
SCHEMBL29465812 0.81 KDM4D (0.47) KDM4EGSK3BDYRK1AGABRB1GABRB2
SCHEMBL2080457 0.81 KDM4D (0.47) KDM4EGSK3BDYRK1AGABRB1GABRB2
SCHEMBL29710317 0.80 DYRK1A (0.60) KDM4EGSK3BDYRK1AKDRGSK3A
SCHEMBL29710311 0.80 DYRK1A (0.60) KDM4EGSK3BDYRK1AKDRGSK3A
SCHEMBL17631721 0.80 DYRK1A (0.60) KDM4EGSK3BDYRK1AKDRGSK3A
SCHEMBL10200762 0.79 KDR (0.54) GSK3BBRAFFGFR1KDRLCK
SCHEMBL21581665 0.77 RIOK2 (0.51) P2RX3GCKRIOK2FGFR1KDR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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 (1 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 P2RX3 1977/4885GCK 719/4885KDM4E 1104/4885

“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.