SCHEMBL21735908

SCHEMBL21735908

c1ccc(-c2ccc3sc4c(-c5ccc6oc7ccccc7c6c5)nc(-n5c6ccccc6c6cc7ccccc7cc65)nc4c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.37
PIM1 P11309 3/20 0.36
PIM2 Q9P1W9 3/20 0.36
PIM3 Q86V86 2/20 0.36
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
CHEK2 O96017 1/20 0.31

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
SCHEMBL21474700 0.93 TNKS (0.32) CHEK2
SCHEMBL20669818 0.90 PIM1 (0.41) LIMK1PIM1PIM2PIM3
SCHEMBL21736082 0.88 LIMK1 (0.35) LIMK1PIM1PIM2PIM3CHEK2
SCHEMBL20670066 0.87 TNKS (0.32)
SCHEMBL21736625 0.86 PIM1 (0.38) LIMK1PIM1PIM2PIM3
SCHEMBL21736160 0.86 PIM1 (0.38) LIMK1PIM1PIM2PIM3
SCHEMBL20669807 0.86 PIM1 (0.38) LIMK1PIM1PIM2PIM3
SCHEMBL20670030 0.86 PLA2G2A (0.31) PLA2G2APLA2G4ACHEK2
SCHEMBL21474735 0.84 PIM1 (0.33) LIMK1PIM1PIM2PIM3
SCHEMBL26743066 0.84 PIM1 (0.33) LIMK1PIM1PIM2PIM3

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 LIMK1 330/4885PIM1 2216/4885PIM2 2772/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 LIMK1 330/4885PIM1 2216/4885PIM2 2772/4885

“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.