SCHEMBL22378487

SCHEMBL22378487

N#Cc1ccc(-n2c3ccccc3c3c(C#N)cccc32)cc1-c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
NR3C1 P04150 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 2/20 0.33
TRPA1 O75762 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HIF1A Q16665 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
PRKAG1 P54619 2/20 0.31
PRKAA1 Q13131 2/20 0.31
PRKAB1 Q9Y478 2/20 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
SCHEMBL22378754 1.00 ESR2 (0.36) ESR2NR3C1SMN1; SMN2ALDH1A1LMNA
SCHEMBL22152810 0.94 KDM4E (0.34) ESR2NR3C1SMN1; SMN2ALDH1A1LMNA
SCHEMBL22377603 0.94 SMN1; SMN2 (0.36) NR3C1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL22152907 0.94 KDM4E (0.34) ESR2NR3C1SMN1; SMN2ALDH1A1LMNA
SCHEMBL22377692 0.94 NR3C1 (0.36) ESR2NR3C1SMN1; SMN2ALDH1A1LMNA
SCHEMBL22377605 0.94 SMN1; SMN2 (0.36) NR3C1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL22378562 0.94 NR3C1 (0.36) ESR2NR3C1SMN1; SMN2ALDH1A1LMNA
SCHEMBL22377767 0.92 KDM4E (0.33) NR3C1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL22379419 0.92 KDM4E (0.33) NR3C1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL22378779 0.92 ALDH1A1 (0.39) ESR2NR3C1SMN1; SMN2ALDH1A1LMNA

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-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 473/4885NR3C1 1012/4885SMN1; SMN2 3839/4885
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same CRY1, CYP1A1, CRY2 ESR2 473/4885NR3C1 1012/4885SMN1; SMN2 3839/4885

“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.