SCHEMBL19959829

SCHEMBL19959829

S=P(c1ccc2cccnc2c1)(c1ccc2cccnc2c1)c1ccc2c(c1)nc1c3ccccc3c3ccccc3n21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 7/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NR4A2 P43354 1/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 4/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNA7 P36544 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HTR6 P50406 2/20 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
SCHEMBL19959786 0.96 CYP3A4 (0.32) CYP3A4ALDH1A1MEN1KMT2ACASP1
SCHEMBL19959833 0.90 CYP3A4 (0.35) CYP3A4ALDH1A1MEN1KMT2ACASP1
SCHEMBL19959827 0.90 CYP3A4 (0.35) CYP3A4ALDH1A1MEN1KMT2ACASP1
SCHEMBL19965896 0.89 CYP3A4 (0.35) CYP3A4ALDH1A1MEN1KMT2ACASP1
SCHEMBL19959823 0.88 KDM4E (0.36) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL19959812 0.87 KDM4E (0.34) CYP3A4ALDH1A1MEN1KMT2ACASP1
SCHEMBL19959807 0.87 KDM4E (0.34) CYP3A4ALDH1A1MEN1KMT2ACASP1
SCHEMBL19959916 0.86 KDM4E (0.37) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL19959787 0.86 KDM4E (0.37) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL19959880 0.85 KDM4E (0.34) ALDH1A1MEN1KMT2AKDM4EHPGD

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 CYP3A4 106/4885ALDH1A1 750/4885MEN1 885/4885
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 CYP3A4 106/4885ALDH1A1 750/4885MEN1 885/4885

“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.