SCHEMBL15315970

SCHEMBL15315970

Cc1ccccc1-n1ccnc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.51
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
FLT1 P17948 2/20 0.44
FLT4 P35916 2/20 0.44
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
GRM1 Q13255 1/20 0.42

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
SCHEMBL20053042 0.87 KDR (0.47) KDRALDH1A1TSHRFLT1FLT4
SCHEMBL28864443 0.83 KDR (0.48) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL27700716 0.83 KDR (0.47) KDRALDH1A1FLT1FLT4MAPK9
SCHEMBL29808143 0.83 PIK3CA (0.44) KDRALDH1A1TSHRFLT1FLT4
SCHEMBL12076962 0.83 PIK3CA (0.44) KDRALDH1A1TSHRFLT1FLT4
SCHEMBL12077031 0.83 KDR (0.39) KDRALDH1A1TSHRFLT1FLT4
SCHEMBL28813675 0.82 KDR (0.46) KDRALDH1A1FLT1FLT4MAPK9
SCHEMBL3817755 0.82 KDR (0.51) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL12076696 0.82 COMT (0.42) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL23884766 0.81 ALDH1A1 (0.44) KDRALDH1A1FLT1FLT4MAPK9

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 215/4885ALDH1A1 2264/4885TSHR 2280/4885

“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.