SCHEMBL17009604

SCHEMBL17009604

COc1cc2[nH]c(=O)cc(Oc3ccc(N)cc3)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 5/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
MPO P05164 1/20 0.42
XDH P47989 1/20 0.42
AR P10275 1/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40

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
SCHEMBL12806740 0.94 MEN1 (0.43) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL17009602 0.84 PARP10 (0.49) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL31105544 0.82 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL31664560 0.80 KDM4E (0.59) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13429082 0.78 CYP1A2 (0.47) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL31060830 0.77 EGFR (0.52) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL1771739 0.76 AR (0.56) KDM4EALDH1A1MAPTARGAA
SCHEMBL13429118 0.75 HPGD (0.45) KDM4EALDH1A1HPGDSMN1; SMN2XDH
SCHEMBL3227054 0.74 AR (0.49) HPGDSMN1; SMN2XDHARMEN1
SCHEMBL13429012 0.73 XDH (0.44) HPGDSMN1; SMN2XDHARMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11504363-B2 Method of treating cancer and bone cancer pain EXELIXIS, INC. (US) 2022-11-22 US disclosed
EP-3105204-A1 CRYSTALLINE SOLID FORMS OF N-{4-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]PHENYL}-N'-(4-FLUOROPHENYL) CYCLOPROPANE-1, 1-DICARBOXAMIDE, PROCESSES FOR MAKING, AND METHODS OF USE Exelixis, Inc. (US) 2016-12-21 EP disclosed
WO-2015123639-A1 CRYSTALLINE SOLID FORMS OF N-{4-[(6,7-DIMETHOXYQUINOLIN-4-YL)OXY]PHENYL}-N'-(4-FLUOROPHENYL) CYCLOPROPANE-1, 1-DICARBOXAMIDE, PROCESSES FOR MAKING, AND METHODS OF USE EXELIXIS, INC. (US) 2015-08-20 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-11504363-B2 Method of treating cancer and bone cancer pain TPO, OGFR, CALCR KDM4E 3505/4885ALDH1A1 723/4885HPGD 1696/4885

“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.