SCHEMBL22945998

SCHEMBL22945998

c1ccc2c3c(ccc2c1)N(c1nc(-c2cccc4cccnc24)c2sc4ccccc4c2n1)c1cccc2cccc-3c12

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
AGTR1 P30556 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
KRAS P01116 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 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
SCHEMBL22945734 0.93 KDM4E (0.32) ALDH1A1KDM4EMEN1LMNAESR1
SCHEMBL22945278 0.91
SCHEMBL22944962 0.90 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1LMNAESR1
SCHEMBL22945970 0.89 KRAS (0.39) ALDH1A1KDM4EMAPTKRASGAA
SCHEMBL22945441 0.89 ALOX5 (0.32)
SCHEMBL22945440 0.88
SCHEMBL22944782 0.87 MEN1 (0.36) MEN1LMNAMAPTKMT2A
SCHEMBL22945971 0.86 MAPK13 (0.31) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL22945333 0.86 ALDH1A1 (0.34) ALDH1A1KDM4EMEN1LMNAESR1
SCHEMBL22945529 0.86 PDE6D (0.32) MEN1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-11812658-B2 Compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-02-04 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-20210036236-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME DRD1, DRD3, DRD2 ALDH1A1 271/4885KDM4E 1857/4885MEN1 1827/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 ALDH1A1 271/4885KDM4E 1857/4885MEN1 1827/4885

“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.