SCHEMBL24627008

SCHEMBL24627008

C=C/C=C\C=C(/C)c1cc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4ccccn4)n3)c2)nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ KDM4A O75164 1/20 0.34
▸ KDM5C P41229 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ KDM3A Q9Y4C1 1/20 0.34
▸ SLC2A1 P11166 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL25458684 0.81 MCL1 (0.38) ADORA3ADORA2BADORA1EGFRCYP19A1
SCHEMBL22114508 0.81 KAT6A (0.35) KDM4EPIK3CAPIK3CBPIK3CGRAB9A
SCHEMBL24626925 0.79 KDM4E (0.37) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL24626890 0.79 GRM5 (0.36) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL22102810 0.78 MCL1 (0.36) ADORA3ADORA2BADORA1CYP19A1
SCHEMBL23081778 0.77 CCR1 (0.45) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL20936376 0.77 MCL1 (0.41) KDM4EADORA3ADORA2BADORA1CYP19A1
SCHEMBL23081951 0.75 CCR1 (0.45) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL23081940 0.74 KDM4E (0.46) KDM4EKDM6BKDM4AKDM5CKDM4C
SCHEMBL12948982 0.74 TLR4 (0.39) KDM4ECCR1CCR5CCR8RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220223795-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2022-07-14 — — 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-20220223795-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 KDM4E 2496/4885KDM6B 1484/4885KDM4A 1419/4885

“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.

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