Sugi Predict

Sugi Predict / Compounds / SCHEMBL18565797

SCHEMBL18565797

SCHEMBL18565797

c1cc(-c2nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccccc7c6c5)cc43)n2)cc(-n2c3ccccc3c3ccc(-c4ccc5oc6ccccc6c5c4)cc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PLA2G2A P14555 4/20 0.34
▸ PLA2G4A P47712 4/20 0.34
▸ PLA2G10 O15496 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CASP3 P42574 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ BTK Q06187 2/20 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
SCHEMBL18566014 0.93 CHEK2 (0.36) CHEK2KDM4EATML3MBTL1PLA2G2A
SCHEMBL16452355 0.93 CHEK2 (0.36) CHEK2KDM4EATML3MBTL1PLA2G2A
SCHEMBL23863521 0.93 CHEK2 (0.39) CHEK2KDM4EATML3MBTL1PLA2G2A
SCHEMBL18566013 0.92 CHEK2 (0.36) CHEK2KDM4EATML3MBTL1PLA2G2A
SCHEMBL18565570 0.92 HCRTR1 (0.35) CHEK2KDM4EATML3MBTL1PLA2G2A
SCHEMBL23557839 0.92 KDM4E (0.38) CHEK2KDM4EATML3MBTL1PLA2G2A
SCHEMBL17248181 0.91 KDM4E (0.35) CHEK2KDM4EATML3MBTL1PLA2G2A
SCHEMBL24303734 0.91 KDM4E (0.40) CHEK2KDM4EATML3MBTL1PLA2G2A
SCHEMBL23557838 0.91 PLA2G2A (0.38) CHEK2KDM4EATML3MBTL1PLA2G2A
SCHEMBL23558264 0.91 PLA2G2A (0.39) CHEK2KDM4EATML3MBTL1PLA2G2A

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
US-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-05-14 — — US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 — — US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 — — 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 (2 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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device EED, BMI1, CD99 CHEK2 3359/4885KDM4E 225/4885ATM 3092/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 CHEK2 3359/4885KDM4E 225/4885ATM 3092/4885

“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.