SCHEMBL822887

SCHEMBL822887

c1ccc(-c2nccn2-c2cccc3c2Cc2c-3cccc2-n2ccnc2-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.41
ESR1 P03372 1/20 0.39
FLT1 P17948 4/20 0.38
FLT4 P35916 4/20 0.38
P2RX4 Q99571 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL822592 0.87 KDR (0.35) KDRESR1FLT1FLT4P2RX4
SCHEMBL822582 0.86 KDR (0.35) KDRESR1FLT1FLT4P2RX4
SCHEMBL822731 0.85 MAPK9 (0.43) KDRESR1FLT1FLT4P2RX4
SCHEMBL28813675 0.82 KDR (0.46) KDRESR1FLT1FLT4MAPK9
SCHEMBL15316042 0.80 KDR (0.42) KDRESR1FLT1FLT4MAPK9
SCHEMBL15315957 0.80 KDR (0.43) KDRESR1FLT1FLT4MAPK9
SCHEMBL822604 0.79 P2RX4 (0.38) KDRFLT1FLT4P2RX4MAPK9
SCHEMBL25564159 0.76 KDR (0.46) KDRESR1FLT1FLT4MAPK9
SCHEMBL15315970 0.76 KDR (0.51) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL27659057 0.75 P2RX4 (0.46) KDRFLT1FLT4P2RX4MAPK9

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 KDR 1620/4885ESR1 2751/4885FLT1 4117/4885

“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.