SCHEMBL21474735

SCHEMBL21474735

c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc4c3sc3ccccc34)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.33
PIM2 Q9P1W9 4/20 0.33
PIM3 Q86V86 2/20 0.33
TNKS O95271 3/20 0.33
TNKS2 Q9H2K2 3/20 0.33
LIMK1 P53667 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
MMP14 P50281 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR2C P28335 1/20 0.31
KRAS P01116 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
SCHEMBL21736099 0.95 TNKS (0.33) PIM1PIM2PIM3TNKSTNKS2
SCHEMBL26743066 0.94 PIM1 (0.33) PIM1PIM2PIM3LIMK1MEN1
SCHEMBL21736052 0.94 TNKS (0.36) PIM1PIM2PIM3TNKSTNKS2
SCHEMBL21736021 0.94 TNKS (0.35) PIM1PIM2PIM3TNKSTNKS2
SCHEMBL18962123 0.90 LIMK1 (0.33) PIM1PIM2PIM3TNKSTNKS2
SCHEMBL18961992 0.90 LIMK1 (0.33) PIM1PIM2PIM3TNKSTNKS2
SCHEMBL20669818 0.90 PIM1 (0.41) PIM1PIM2PIM3LIMK1MEN1
SCHEMBL20670137 0.89 TNKS (0.36) PIM1PIM2TNKSTNKS2HTR2C
SCHEMBL21736096 0.88 TNKS (0.35) PIM1PIM2TNKSTNKS2HTR2C
SCHEMBL21736160 0.88 PIM1 (0.38) PIM1PIM2PIM3TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
EP-3553049-B1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2022-01-19 EP disclosed
WO-2021251661-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2021-12-16 WO disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 US disclosed
EP-3553049-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2019-10-16 EP 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-11530225-B2 Compound and organic light-emitting diode comprising same CRY1, CRY2, TRPA1 PIM1 2216/4885PIM2 2772/4885PIM3 3873/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 PIM1 2216/4885PIM2 2772/4885PIM3 3873/4885

“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.