SCHEMBL20090110

SCHEMBL20090110

S=P(c1ccncc1)(c1ccncc1)c1ccc(-c2ccc(-c3ccc4c5ccc6ccccc6c5c5nc6ccccc6n5c4c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HPGD P15428 5/20 0.37
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 6/20 0.33
MEN1 O00255 5/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FLT3 P36888 3/20 0.32
HSP90AA1 P07900 1/20 0.32
BMX P51813 2/20 0.31
BCL2 P10415 1/20 0.31
HTR6 P50406 1/20 0.31
CHEK1 O14757 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL20090093 0.96 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090079 0.93 HPGD (0.41) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090103 0.92 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090228 0.90 MAPK8 (0.33) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090088 0.89 HPGD (0.39) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090092 0.88 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL20090100 0.87 HPGD (0.39) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL19960222 0.86 KDM4E (0.40) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL19960318 0.85 KDM4E (0.34) ALDH1A1HPGDKDM4EMAPT
SCHEMBL19965922 0.85 KDM4E (0.34) ALDH1A1HPGDKDM4EMAPT

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-10355225-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2019-07-16 US disclosed
US-20180114923-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 US disclosed
US-20180114923-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-04-26 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-20180114923-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, CRY2, PER2 ALDH1A1 750/4885HPGD 2982/4885KDM4E 1997/4885
US-10355225-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, PER2 ALDH1A1 750/4885HPGD 2982/4885KDM4E 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.