SCHEMBL19959867

SCHEMBL19959867

S=P(c1ccncc1)(c1ccc2cncnc2c1)c1ccc2c(c1)nc1c3ccccc3c3ccccc3n21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.34
EGFR P00533 5/20 0.33
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL19959893 0.92 KDM4E (0.33) TDO2EGFRKDM4ELMNAALDH1A1
SCHEMBL19959900 0.92 KDM4E (0.33) TDO2EGFRKDM4ELMNAALDH1A1
SCHEMBL19959869 0.90 TDO2 (0.34) TDO2EGFRKDM4ELMNATP53
SCHEMBL19959786 0.88 CYP3A4 (0.32) KDM4ELMNAALDH1A1HPGDTP53
SCHEMBL19959887 0.84 EGFR (0.32) TDO2EGFR
SCHEMBL19959906 0.84 BCL2 (0.32) TDO2EGFRKDM4ELMNAALDH1A1
SCHEMBL19959890 0.83 KDM4E (0.33) TDO2EGFRKDM4ELMNAALDH1A1
SCHEMBL19959829 0.83 CYP3A4 (0.35) KDM4ELMNAALDH1A1HPGDTP53
SCHEMBL19959897 0.82 KDM4E (0.33) TDO2EGFRKDM4ELMNAALDH1A1
SCHEMBL19965896 0.82 CYP3A4 (0.35) KDM4ELMNAALDH1A1HPGDTP53

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 TDO2 1142/4885EGFR 2712/4885KDM4E 1997/4885
US-10700289-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 TDO2 1142/4885EGFR 2712/4885KDM4E 1997/4885

“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.