SCHEMBL21735901

SCHEMBL21735901

c1ccc2cc3c(cc2c1)c1ccccc1n3-c1nc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc2oc3ccccc3c12

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN5 P54829 1/20 0.30
KMT2A Q03164 1/20 0.30
PTPN11 Q06124 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL20669988 0.94 HCRTR1 (0.33) CHEK2SMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL24772668 0.94 CHEK2 (0.37) CHEK2SMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL21735864 0.93 TDP1 (0.32) CHEK2SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL20670060 0.91 SMN1; SMN2 (0.38) SMN1; SMN2LMNAMEN1ALDH1A1POLB
SCHEMBL21736293 0.91 SMN1; SMN2 (0.38) CHEK2SMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL21735860 0.90 TSHR (0.37) SMN1; SMN2LMNAMEN1ALDH1A1POLB
SCHEMBL21735869 0.88 TSHR (0.33) SMN1; SMN2LMNAMEN1ALDH1A1MAPK1
SCHEMBL20670116 0.88
SCHEMBL21736238 0.88
SCHEMBL20669801 0.87 SMN1; SMN2 (0.33) SMN1; SMN2LMNAMEN1ALDH1A1POLB

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 CHEK2 3750/4885SMN1; SMN2 1814/4885LMNA 3949/4885
US-20200055865-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CRY1, CRY2, TRPA1 CHEK2 3750/4885SMN1; SMN2 1814/4885LMNA 3949/4885

“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.