Sugi Predict

Sugi Predict / Compounds / SCHEMBL15316006

SCHEMBL15316006

SCHEMBL15316006

c1ccc(-c2c(-c3ccccc3-n3ccnc3-c3ccccc3)n(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ IL1R1 P14778 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ KDR P35968 7/20 0.37
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ PLK1 P53350 1/20 0.32

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 0.76 KDR (0.46) ALDH1A1HTTKDRMAPK9MAPK10
SCHEMBL18999436 0.75 MAPK9 (0.46) L3MBTL1ALDH1A1P2RX4KDRMAPK9
SCHEMBL15315957 0.73 KDR (0.43) ALDH1A1HTTKDRMAPK9MAPK10
SCHEMBL15316090 0.73 KDR (0.39) L3MBTL1ALDH1A1P2RX4KDRMAPK9
SCHEMBL15316024 0.73 HSD11B1 (0.40) L3MBTL1ALDH1A1MAPTP2RX4KDR
Benzene SCHEMBL27839441 0.72 MAPK9 (0.54) L3MBTL1P2RX4KDRMAPK9MAPK10
SCHEMBL528245 0.72 MAPK9 (0.54) L3MBTL1P2RX4KDRMAPK9MAPK10
SCHEMBL15316045 0.72 HSD11B1 (0.39) ALDH1A1P2RX4KDRMAPK9MAPK10
SCHEMBL15316016 0.72 KDM4E (0.41) KMT2AL3MBTL1ALDH1A1MEN1MAPT
SCHEMBL15316023 0.72 MAPK9 (0.44) L3MBTL1P2RX4KDRMAPK9MAPK10

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 KMT2A 675/4885IL1R1 531/4885L3MBTL1 707/4885

“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.