SCHEMBL17142145

SCHEMBL17142145

N#CN=C(N)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
MMP3 P08254 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL18419432 0.79 POLB (0.49) POLBALDH1A1MAPTHTTKDM4E
SCHEMBL18419431 0.79 POLB (0.49) POLBALDH1A1MAPTHTTKDM4E
SCHEMBL103070 0.77 NR4A1 (0.50) POLBNR4A1NR4A2NR4A3HPGD
SCHEMBL5341001 0.76 NSD2 (0.42) POLBALDH1A1MAPTHSP90AA1HTT
SCHEMBL18652356 0.76 NR4A1 (0.48) POLBNR4A1NR4A2NR4A3HPGD
SCHEMBL6660622 0.73 F2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8508229 0.73 HPGD (0.47) POLBNR4A1NR4A2NR4A3HPGD
SCHEMBL20263722 0.71 SIGMAR1 (0.51) POLBKDM4EGAACYP1A2CYP3A4
Water SCHEMBL3981101 0.71 KDM4E (0.66) POLBNR4A1NR4A2NR4A3HPGD
SCHEMBL3629919 0.70 POLB (0.50) POLBHPGDALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10964892-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-03-30 US disclosed
US-20170098777-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2017-04-06 US disclosed
EP-3127901-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2017-02-08 EP disclosed
WO-2015152633-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2015-10-08 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 (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-10964892-B2 Heterocyclic compound and organic light-emitting device comprising same CRY1, CRY2, PER2 POLB 2032/4885NR4A1 184/4885NR4A2 275/4885
US-20170098777-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CRY2, PER2 POLB 2032/4885NR4A1 184/4885NR4A2 275/4885

“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.