SCHEMBL22378407

SCHEMBL22378407

N#Cc1cc(-c2ccccc2-c2cccc(C#N)c2-n2c3ccccc3c3ccccc32)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
MCL1 Q07820 1/20 0.34
ESR2 Q92731 1/20 0.34
IMPDH2 P12268 1/20 0.33
NR3C1 P04150 1/20 0.33
AR P10275 1/20 0.33
TGFBR1 P36897 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B3 P37058 1/20 0.32
PPARG P37231 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
SCHEMBL19755309 0.95 TRPA1 (0.36) TRPA1MCL1ESR2IMPDH2NR3C1
SCHEMBL22377900 0.92 PTGER4 (0.32) TRPA1MCL1NR3C1ALDH1A1CYP1A2
SCHEMBL22377700 0.92 PTGER4 (0.32) TRPA1MCL1NR3C1ALDH1A1CYP1A2
SCHEMBL22377483 0.91 AR (0.35) TRPA1MCL1ESR2IMPDH2NR3C1
SCHEMBL22378361 0.91 TRPA1 (0.34) TRPA1MCL1ESR2IMPDH2NR3C1
SCHEMBL22378354 0.90 ESR2 (0.37) TRPA1MCL1ESR2IMPDH2AR
SCHEMBL19755349 0.87 PTGER4 (0.33) TRPA1MCL1ESR2IMPDH2NR3C1
SCHEMBL22379276 0.87 IMPDH2 (0.36) TRPA1MCL1ESR2IMPDH2NR3C1
SCHEMBL19755257 0.86 AR (0.36) TRPA1MCL1ESR2IMPDH2NR3C1
SCHEMBL22379320 0.85 TRPA1 (0.34) TRPA1MCL1ESR2IMPDH2NR3C1

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
EP-3702349-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2023-01-04 EP 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 TRPA1 30/4885MCL1 930/4885ESR2 473/4885
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same CRY1, CYP1A1, CRY2 TRPA1 30/4885MCL1 930/4885ESR2 473/4885

“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.