SCHEMBL21452044

SCHEMBL21452044

COc1cccc(N(c2ccccc2)c2ccc3cc4c5ccc(N(c6ccccc6)c6cccc(OC)c6)cc5n(-c5ccccc5)c4cc3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
NTRK1 P04629 1/20 0.38
IGF1R P08069 1/20 0.38
FGFR1 P11362 1/20 0.38
NTRK2 Q16620 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAT2A P31153 1/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
MAPK8 P45983 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL9913021 0.92 MTNR1A (0.42) KDM4ENTRK1IGF1RFGFR1NTRK2
SCHEMBL23029157 0.92 KDM4E (0.40) KDM4ENTRK1IGF1RFGFR1NTRK2
SCHEMBL23029031 0.91 ADRA2A (0.38) KDM4ENTRK1IGF1RFGFR1NTRK2
SCHEMBL9913010 0.91 MTNR1A (0.43) KDM4ENTRK1IGF1RFGFR1NTRK2
SCHEMBL9913019 0.90 NTRK1 (0.42) KDM4ENTRK1IGF1RFGFR1NTRK2
SCHEMBL21452059 0.89 KDM4E (0.38) KDM4ENTRK1IGF1RFGFR1NTRK2
SCHEMBL23029181 0.89 KDM4E (0.41) KDM4EMAPTHTTCYP1A2MAT2A
SCHEMBL21452036 0.86 KDM4E (0.39) KDM4EIGF1RMAPTHTTCYP1A2
SCHEMBL21451754 0.86 OXTR (0.42) KDM4ESMN1; SMN2MAPTHTTCYP1A2
SCHEMBL9912985 0.85 MTNR1A (0.42) KDM4ENTRK1IGF1RFGFR1NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210057650-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-25 US disclosed
WO-2019194617-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2019-10-10 WO 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-20210057650-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, RNF10, DRD2 KDM4E 2073/4885NTRK1 1987/4885IGF1R 277/4885

“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.