SCHEMBL545151

SCHEMBL545151

CC(C)(C)OC(=O)c1cc(Oc2ccc3ccc(C(=O)O)cc3c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
BRAF P15056 11/20 0.42
KDR P35968 5/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.41
KDM6B O15054 1/20 0.38
TET3 O43151 1/20 0.38
KDM4A O75164 1/20 0.38
BBOX1 O75936 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KDM5A P29375 1/20 0.38
KDM5C P41229 1/20 0.38
ASPH Q12797 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
TET2 Q6N021 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
KDM7A Q6ZMT4 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
SCHEMBL546440 0.90 ALOX15 (0.41) KDM4EBRAFKDRPOLBMAPT
SCHEMBL19478172 0.81 BRAF (0.62) BRAFKDRRAF1EPHX2
SCHEMBL545876 0.81 P2RX3 (0.46) KDM4EBRAFKDR
SCHEMBL545540 0.80 KDM4E (0.47) KDM4EBRAFKDRPOLBKDM6B
SCHEMBL31364143 0.79 FTO (0.61) KDM4EKDM6BTET3KDM4ABBOX1
Hydrochloric Acid SCHEMBL546682 0.79 KDM4E (0.46) KDM4EBRAFKDRPOLBKDM6B
SCHEMBL4202008 0.78 RAF1 (0.44) BRAFKDRNPC1RAB9AALDH1A1
SCHEMBL2503456 0.77 KDR (0.43) BRAFKDRRAF1
SCHEMBL12329785 0.77 NR4A1 (0.45) BRAFKDRRAF1EPHX2
SCHEMBL18545874 0.76 KDM4E (0.67) KDM4EPOLBMAPT

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 9 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
EP-1957460-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-08-20 EP 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
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 WO 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 KDM4E 1104/4885BRAF 215/4885KDR 1264/4885

“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.