SCHEMBL21736003

SCHEMBL21736003

c1ccc(-c2ccc3sc4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)nc(-n5c6ccccc6c6cc7ccccc7cc65)nc4c3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.35
PIM2 Q9P1W9 7/20 0.35
PIM3 Q86V86 4/20 0.35
LIMK1 P53667 1/20 0.34
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21736004 0.91 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL21736625 0.89 PIM1 (0.38) PIM1PIM2PIM3LIMK1KDM4E
SCHEMBL21736373 0.87 PIM1 (0.33) PIM1PIM2PIM3LIMK1
SCHEMBL21736298 0.87 KDM4E (0.31) PIM3KDM4EATML3MBTL1
SCHEMBL20669818 0.86 PIM1 (0.41) PIM1PIM2PIM3LIMK1L3MBTL1
SCHEMBL21736153 0.85 PIM1 (0.34) PIM1PIM2PIM3LIMK1
SCHEMBL24202889 0.85 PIM1 (0.31) PIM1PIM2PIM3
SCHEMBL21736370 0.85 PIM1 (0.35) PIM1PIM2PIM3LIMK1KDM4E
SCHEMBL21213703 0.84 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL23983614 0.84

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-11530225-B2 Compound and organic light-emitting diode comprising same LG CHEM, LTD. (KR) 2022-12-20 US disclosed
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-20 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-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.