SCHEMBL17829454

SCHEMBL17829454

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc(-c6cccc7cccnc67)cc5)c4)cc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
TOP1 P11387 7/20 0.45
MMP9 P14780 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MMP2 P08253 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MMP8 P22894 1/20 0.44
CCR1 P32246 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL12580436 0.95 MMP2 (0.48) BRD4TOP1MMP9MAPTKDM4E
SCHEMBL12580382 0.95 MMP2 (0.48) BRD4TOP1MMP9MAPTKDM4E
SCHEMBL17829343 0.94 KDM4E (0.46) BRD4TOP1MMP9MAPTKDM4E
SCHEMBL12580374 0.94 MMP2 (0.50) BRD4TOP1MMP9MAPTKDM4E
SCHEMBL12580425 0.94 MMP2 (0.50) BRD4TOP1MMP9MAPTKDM4E
SCHEMBL17829321 0.93 KDM4E (0.44) BRD4TOP1MMP9MAPTKDM4E
SCHEMBL19486704 0.93 BRD4 (0.47) BRD4TOP1MMP9MAPTKDM4E
SCHEMBL18327526 0.93 BRD4 (0.47) BRD4TOP1MMP9MAPTKDM4E
SCHEMBL21398352 0.92 MMP2 (0.46) BRD4TOP1MMP9MAPTKDM4E
SCHEMBL18464289 0.92 BRD4 (0.43) BRD4TOP1MMP9MAPTKDM4E

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
EP-2995616-B1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2018-04-25 EP disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 BRD4 999/4885TOP1 3349/4885MMP9 3689/4885

“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.