SCHEMBL22945756

SCHEMBL22945756

c1ccc(-c2ccc(-c3nc(N4c5cc6ccccc6cc5-c5cccc6cccc4c56)nc4c3sc3ccccc34)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.37
TGFBR1 P36897 1/20 0.34
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MIF P14174 1/20 0.31
GABRA1 P14867 1/20 0.31
DCTPP1 Q9H773 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
SCHEMBL22945331 0.93 KRAS (0.39) KRASTGFBR1MIFGABRA1DCTPP1
SCHEMBL22945713 0.93 KRAS (0.39) KRASTGFBR1PIK3CDPIK3CAPI4KA
SCHEMBL22945755 0.90 KDM4E (0.32)
SCHEMBL22944877 0.89 PDE6D (0.38)
SCHEMBL22944880 0.89 MAPK1 (0.34)
SCHEMBL22945513 0.88 KRAS (0.35) KRASTGFBR1PIK3CDPIK3CAPI4KA
SCHEMBL22945332 0.88 ALDH1A1 (0.32)
SCHEMBL22945614 0.88 KRAS (0.37) KRASTGFBR1PIK3CDPIK3CAPI4KA
SCHEMBL22945762 0.88 PDE6D (0.32)
SCHEMBL22944876 0.87 ALDH1A1 (0.32)

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 KRAS 1811/4885TGFBR1 519/4885PIK3CD 4301/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 KRAS 1811/4885TGFBR1 519/4885PIK3CD 4301/4885

“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.