SCHEMBL19735447

SCHEMBL19735447

N#Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3C3(c4ccccc4)c4ccccc4-c4cccc2c43)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.41
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
PGR P06401 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
KAT6A Q92794 1/20 0.30
ACLY P53396 1/20 0.30
CHEK1 O14757 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL19735710 0.91 PDK2 (0.39) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL19735431 0.91 PDK2 (0.36) PDK2
SCHEMBL808121 0.91 PDK2 (0.48) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL19735432 0.90 PDK2 (0.35) PDK2
SCHEMBL19735428 0.90 PDK2 (0.35) PDK2
SCHEMBL16996418 0.89 PDK2 (0.40) PDK2PGRMAOBMAOA
SCHEMBL17858646 0.88 PDK2 (0.42) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL17854524 0.88 PDK2 (0.44) PDK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL16996127 0.87 PDK2 (0.41) PDK2PGRMAOBMAOA
SCHEMBL19735480 0.86 PDK2 (0.33) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 US disclosed
US-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 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-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 PDK2 888/4885GABRA1 2796/4885GABRG2 3365/4885

“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.