SCHEMBL20220158

SCHEMBL20220158

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(Oc4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MCL1 Q07820 2/20 0.40
ADORA1 P30542 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
GSTP1 P09211 1/20 0.37

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
SCHEMBL21882392 0.93 MAPK1 (0.43) PDK2MAPK1TDP1MCL1ADORA1
SCHEMBL18878325 0.91 PDK2 (0.50) PDK2ADORA1MAPTALDH1A1MEN1
SCHEMBL17151586 0.91 PDK2 (0.50) PDK2ADORA1MAPTALDH1A1MEN1
SCHEMBL18878322 0.91 PDK2 (0.50) PDK2ADORA1MAPTALDH1A1MEN1
SCHEMBL21394406 0.91 PDK2 (0.50) PDK2ADORA1MAPTALDH1A1MEN1
SCHEMBL25068680 0.91 PDK2 (0.50) PDK2ADORA1MAPTALDH1A1MEN1
SCHEMBL17151629 0.91 PDK2 (0.50) PDK2ADORA1MAPTALDH1A1MEN1
SCHEMBL12938317 0.91 PDK2 (0.50) PDK2ADORA1MAPTALDH1A1MEN1
SCHEMBL12611237 0.90 PDK2 (0.49) PDK2ADORA1MAPTALDH1A1MEN1
SCHEMBL19759324 0.90 PDK2 (0.49) PDK2ADORA1MAPTALDH1A1MEN1

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-11730009-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. 2023-08-15 US disclosed
US-11730009-B2 Compound and organic light-emitting element comprising same LG CHEM, LTD. 2023-08-15 US disclosed
EP-3330265-B1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-04-15 EP disclosed
EP-3330265-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2018-06-06 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 (1 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-11730009-B2 Compound and organic light-emitting element comprising same CRY2, CRY1, NR2E3 PDK2 2879/4885MAPK1 4091/4885TDP1 3773/4885

“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.