SCHEMBL19959841

SCHEMBL19959841

S=P(c1ccc2cccnc2c1)(c1ccc2cccnc2c1)c1cccc2nc3c4ccccc4c4ccccc4n3c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.33
ALDH1A1 P00352 5/20 0.33
CYP3A4 P08684 2/20 0.32
MEN1 O00255 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
NR4A2 P43354 1/20 0.32
KDM4E B2RXH2 3/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR6 P50406 2/20 0.31
HPGD P15428 2/20 0.30
PTPN1 P18031 2/20 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
SCHEMBL19959796 0.96 PDE10A (0.31) PDE10AALDH1A1
SCHEMBL19959838 0.88 KDM4E (0.34) PDE10AALDH1A1CYP3A4MEN1CASP1
SCHEMBL19959839 0.88 KDM4E (0.34) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL19959793 0.86 KDM4E (0.35) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL19959794 0.85 CYP2C9 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL19959829 0.85 CYP3A4 (0.35) PDE10AALDH1A1CYP3A4MEN1CASP1
SCHEMBL19959927 0.84 LMNA (0.32) ALDH1A1CYP1A2KDM4ELMNATP53
SCHEMBL19959926 0.84 MAPT (0.34) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL19965960 0.84 KDM4E (0.32) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL19966111 0.84 EGFR (0.33) ALDH1A1KDM4ELMNATP53POLB

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-10700289-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2020-06-30 US disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 US disclosed
US-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-03-15 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-20180076395-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 PDE10A 3080/4885ALDH1A1 750/4885CYP3A4 106/4885
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 PDE10A 3080/4885ALDH1A1 750/4885CYP3A4 106/4885

“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.