SCHEMBL20160929

SCHEMBL20160929

CNc1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 10/20 0.54
KMT2A Q03164 10/20 0.54
MAPT P10636 8/20 0.54
ALDH1A1 P00352 7/20 0.54
HPGD P15428 7/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP2C19 P33261 1/20 0.50
NTSR1 P30989 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
GLA P06280 1/20 0.46
ADORA1 P30542 4/20 0.46
ADORA2A P29274 3/20 0.46
TSHR P16473 2/20 0.46
AGTR1 P30556 1/20 0.46

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
SCHEMBL16285529 0.89 L3MBTL1 (0.50) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL16285547 0.87 CYP1A2 (0.46) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL16285574 0.86 L3MBTL1 (0.47) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL16285558 0.86 L3MBTL1 (0.47) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL16285518 0.84 CYP1A2 (0.46) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL16285515 0.84 TDP1 (0.53) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL16285489 0.84 TDP1 (0.53) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL17898392 0.84 MEN1 (0.64) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL16285562 0.83 CYP1A2 (0.43) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL16285527 0.83 TDP1 (0.51) TDP1MEN1KMT2AMAPTALDH1A1

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-10580996-B2 Polycyclic compound and organic light-emitting element comprising same LG CHEM, LTD. (KR) 2020-03-03 US disclosed
US-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-17 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-20180138421-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME CRY2, NR2E3, CRY1 TDP1 3835/4885MEN1 396/4885KMT2A 145/4885
US-10580996-B2 Polycyclic compound and organic light-emitting element comprising same CRY2, NR2E3, CRY1 TDP1 3835/4885MEN1 396/4885KMT2A 145/4885

“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.