SCHEMBL15316042

SCHEMBL15316042

c1ccc(-c2nccn2-c2cccc3c2-c2ccccc2-c2ccccc2-c2ccccc2-3)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.42
FLT1 P17948 4/20 0.39
FLT4 P35916 4/20 0.39
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
HSD11B1 P28845 1/20 0.38
ESR1 P03372 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
SCHEMBL28813675 0.83 KDR (0.46) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL15315957 0.81 KDR (0.43) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL822887 0.80 KDR (0.41) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL25564159 0.77 KDR (0.46) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL15315970 0.77 KDR (0.51) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL27659057 0.76 P2RX4 (0.46) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL15315975 0.76 KDR (0.44) KDRMAPK9MAPK10
SCHEMBL15316034 0.75 KDR (0.37) KDRFLT1FLT4HSD11B1
SCHEMBL528245 0.72 MAPK9 (0.54) KDRFLT1FLT4MAPK9MAPK10
Benzene SCHEMBL27839441 0.72 MAPK9 (0.54) KDRFLT1FLT4MAPK9MAPK10

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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 US disclosed
US-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2013-10-17 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-20130270541-A1 IMIDAZOLE COMPOUND PRODUCTION METHOD, IMIDAZOLE COMPOUND, IMIDAZOLE-BASED COMPOUND, ORGANIC METAL COMPLEX, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE NFXL1, NFE2L2, ZC3HAV1L KDR 215/4885FLT1 1339/4885FLT4 1423/4885

“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.