SCHEMBL22708549

SCHEMBL22708549

c1ccc(-c2ccc3c(c2)oc2c4[nH]c5ccccc5c4c4ccccc4c32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 5/20 0.49
▸ CDK5R1 Q15078 4/20 0.49
▸ DYRK1A Q13627 3/20 0.48
▸ GSK3A P49840 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ MAP3K11 Q16584 2/20 0.44
▸ MAP3K9 P80192 1/20 0.44
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ GABRA4 P48169 1/20 0.42
▸ GABRE P78334 1/20 0.42
▸ GABRA6 Q16445 1/20 0.42

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
SCHEMBL22708765 0.89 CDK5 (0.49) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL22708929 0.89 MAP3K11 (0.44) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL18132863 0.86 MAP3K11 (0.44) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL22708620 0.86 CDK5 (0.37) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL18346744 0.84 CDK5 (0.43) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL19429492 0.83 KIF11 (0.40) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL29506369 0.82 MAP3K11 (0.59) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL30883881 0.82 MAP3K11 (0.59) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL17228831 0.82 MAP3K11 (0.59) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL13508030 0.82 PRKDC (0.41) DYRK1AGABRPGABRDGABRA1GABRB1

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-11588110-B2 Heterocyclic compound and organic light emitting device comprising the same LT MATERIALS CO., LTD. (KR) 2023-02-21 — — US disclosed
US-20200373499-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LT MATERIALS CO., LTD. (KR) 2020-11-26 — — 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-11588110-B2 Heterocyclic compound and organic light emitting device comprising the same CRY1, CYP1A1, CYP1B1 CDK5 1153/4885CDK5R1 1474/4885DYRK1A 4621/4885
US-20200373499-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, CYP1B1 CDK5 1153/4885CDK5R1 1474/4885DYRK1A 4621/4885

“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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