SCHEMBL822749

SCHEMBL822749

c1cc(-c2nccn2-c2ccc3c(c2)-c2ccccc2C3)cc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
P2RX4 Q99571 1/20 0.34
KDR P35968 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP17A1 P05093 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
POLB P06746 1/20 0.31
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CASP6 P55212 1/20 0.31
KMT2A Q03164 1/20 0.31
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
PARP1 P09874 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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 0.97 MAPK9 (0.43) MAPK9MAPK10P2RX4KDRKDM4E
SCHEMBL822597 0.90 MAPK9 (0.47) MAPK9MAPK10P2RX4KDRKDM4E
SCHEMBL822813 0.85 KDM4E (0.36) KDM4EATML3MBTL1RXFP1POLB
SCHEMBL822877 0.84 ALDH1A1 (0.39) KDM4EATML3MBTL1RXFP1POLB
SCHEMBL822604 0.82 P2RX4 (0.38) MAPK9MAPK10P2RX4KDRKDM4E
SCHEMBL822584 0.81 MAPK9 (0.39) MAPK9MAPK10P2RX4KDRHSD11B1
SCHEMBL17467393 0.81 KDM4E (0.38) KDM4EATML3MBTL1CASP6PARP1
SCHEMBL17467396 0.81 KDM4E (0.38) KDM4EATML3MBTL1MEN1GAA
SCHEMBL822726 0.80 MAPK9 (0.56) MAPK9MAPK10P2RX4KDRFLT1
SCHEMBL12219055 0.80 KDM4E (0.46) MAPK9KDM4EATML3MBTL1CYP17A1

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 3165/4885P2RX4 391/4885

“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.