SCHEMBL22945108

SCHEMBL22945108

c1ccc(-c2nc(-c3cccc4c(N5c6ccc7ccccc7c6-c6cccc7cccc5c67)cccc34)nc3c2sc2ccccc23)nc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.37
TGFBR1 P36897 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DCTPP1 Q9H773 1/20 0.32
MIF P14174 1/20 0.31
GABRA1 P14867 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
SCHEMBL22945711 0.90 KRAS (0.39) KRASTGFBR1KDM4ENPC1ALDH1A1
SCHEMBL22944721 0.90 KRAS (0.40) KRASTGFBR1KDM4ENPC1ALDH1A1
SCHEMBL22945970 0.89 KRAS (0.39) KRASTGFBR1KDM4ENPC1ALDH1A1
SCHEMBL22945011 0.87 KRAS (0.38) KRASTGFBR1KDM4ENPC1ALDH1A1
SCHEMBL22944784 0.84 KRAS (0.35) KRASTGFBR1DCTPP1
SCHEMBL22945736 0.84
SCHEMBL21515279 0.84 METAP1 (0.39) TGFBR1KDM4ENPC1ALDH1A1TP53
SCHEMBL22945988 0.83
SCHEMBL22945982 0.83 ALOX5 (0.31)
SCHEMBL22945735 0.82 KRAS (0.37) KRASTGFBR1DCTPP1MIFGABRA1

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 519/4885KDM4E 1857/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 KRAS 1811/4885TGFBR1 519/4885KDM4E 1857/4885

“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.