SCHEMBL822597

SCHEMBL822597

c1ccc(-c2nccn2-c2ccc3c(c2)-c2cc(-n4c5ccccc5c5ccccc54)ccc2C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
KDR P35968 13/20 0.41
P2RX4 Q99571 1/20 0.41
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
FLT1 P17948 2/20 0.34
FLT4 P35916 2/20 0.34
HSD11B1 P28845 1/20 0.33
ESR1 P03372 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
SCHEMBL822583 0.93 MAPK9 (0.43) MAPK9MAPK10KDRP2RX4KDM4E
SCHEMBL822749 0.90 MAPK9 (0.40) MAPK9MAPK10KDRP2RX4KDM4E
SCHEMBL822726 0.90 MAPK9 (0.56) MAPK9MAPK10KDRP2RX4MAOA
SCHEMBL822604 0.87 P2RX4 (0.38) MAPK9MAPK10KDRP2RX4KDM4E
SCHEMBL822584 0.86 MAPK9 (0.39) MAPK9MAPK10KDRP2RX4MAOA
SCHEMBL9920528 0.85 MAPK9 (0.36) MAPK9MAPK10KDRP2RX4MAOA
SCHEMBL822602 0.84 ALDH1A1 (0.45) MAPK9MAPK10KDM4EATML3MBTL1
SCHEMBL9920554 0.81 MAPK9 (0.47) MAPK9MAPK10KDRP2RX4MAOA
SCHEMBL12219217 0.80 KDM4E (0.50) KDRKDM4EATML3MBTL1MAOA
SCHEMBL280277 0.80 MAPK9 (0.45) MAPK9MAPK10KDRP2RX4KDM4E

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-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 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-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 MAPK9 3614/4885MAPK10 3165/4885KDR 1620/4885

“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.