SCHEMBL15315972

SCHEMBL15315972

c1ccc(-c2nccn2-c2ccc3ccccc3c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 5/20 0.83
MAPK9 P45984 3/20 0.83
KDR P35968 11/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
P2RX4 Q99571 1/20 0.46
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
FLT1 P17948 3/20 0.44
FLT4 P35916 3/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL2237538 0.85 MAPK10 (0.62) MAPK10MAPK9KDRMAOAMAOB
SCHEMBL19961727 0.84 MAPK9 (0.64) MAPK10MAPK9KDRP2RX4CYP19A1
SCHEMBL29444843 0.83 MAPK9 (0.60) MAPK10MAPK9KDRMAOAMAOB
SCHEMBL528245 0.81 MAPK9 (0.54) MAPK10MAPK9KDRP2RX4FLT1
Benzene SCHEMBL27839441 0.81 MAPK9 (0.54) MAPK10MAPK9KDRP2RX4FLT1
SCHEMBL25442750 0.81 MAPK9 (0.56) MAPK10MAPK9KDRMAOAMAOB
SCHEMBL3030855 0.79 MAPK9 (0.55) MAPK10MAPK9KDRMAOAMAOB
Hydrochloric Acid SCHEMBL27683877 0.79 MAPK9 (0.53) MAPK10MAPK9KDRP2RX4FLT1
SCHEMBL18999437 0.79 MAPK9 (0.58) MAPK10MAPK9KDRP2RX4FLT1
SCHEMBL2241300 0.79 MAPK9 (0.58) MAPK10MAPK9KDRMAOAMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970809-B Metal iridium complex and application thereof 中节能万润股份有限公司 2021-07-27 CN 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
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 MAPK10 2857/4885MAPK9 1332/4885KDR 215/4885

“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.