SCHEMBL22378784

SCHEMBL22378784

N#Cc1ccc(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.37
IMPDH2 P12268 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AR P10275 6/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
PPARG P37231 1/20 0.34
PGR P06401 2/20 0.33
TRPA1 O75762 1/20 0.33

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
SCHEMBL19755251 0.94 AR (0.40) ESR2IMPDH2KDM4EATML3MBTL1
SCHEMBL22378525 0.92 ESR2 (0.35) ESR2IMPDH2KDM4EATML3MBTL1
SCHEMBL22379528 0.92 ESR2 (0.35) ESR2IMPDH2KDM4EATML3MBTL1
SCHEMBL22379426 0.92 AR (0.37) IMPDH2KDM4EATML3MBTL1ALDH1A1
SCHEMBL22378727 0.92 ESR2 (0.36) ESR2IMPDH2KDM4EATML3MBTL1
SCHEMBL22377703 0.91 ESR2 (0.37) ESR2IMPDH2KDM4EATML3MBTL1
SCHEMBL22377899 0.91 RORC (0.34) ESR2IMPDH2AR
SCHEMBL22379537 0.91 STS (0.33) ESR2IMPDH2KDM4EATML3MBTL1
SCHEMBL22378529 0.91 STS (0.33) ESR2IMPDH2KDM4EATML3MBTL1
SCHEMBL19062273 0.91 KDM4E (0.42) IMPDH2KDM4EATML3MBTL1ALDH1A1

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-11800797-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-24 US disclosed
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-24 US disclosed
US-20200274074-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-08-27 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-20200274074-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CRY2 ESR2 473/4885IMPDH2 1490/4885KDM4E 3290/4885
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same CRY1, CYP1A1, CRY2 ESR2 473/4885IMPDH2 1490/4885KDM4E 3290/4885

“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.