SCHEMBL22944784

SCHEMBL22944784

c1ccc(-c2ccc(-c3nc(-c4ccc(N5c6ccc7ccccc7c6-c6cccc7cccc5c67)cc4)nc4c3sc3ccccc34)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.35
TGFBR1 P36897 1/20 0.34
PDE6D O43924 1/20 0.32
DCTPP1 Q9H773 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
SCHEMBL22945438 0.91 KRAS (0.37) KRASTGFBR1PDE6DDCTPP1
SCHEMBL22944766 0.89 KRAS (0.35) KRASTGFBR1PDE6DDCTPP1
SCHEMBL22945225 0.89 PDE6D (0.33) PDE6D
SCHEMBL22945735 0.89 KRAS (0.37) KRASTGFBR1DCTPP1
SCHEMBL22945513 0.88 KRAS (0.35) KRASTGFBR1PDE6D
SCHEMBL22944783 0.84
SCHEMBL22945108 0.84 KRAS (0.37) KRASTGFBR1DCTPP1
SCHEMBL22945447 0.84 PDE6D (0.38) TGFBR1PDE6D
SCHEMBL22945229 0.83 PDE6D (0.32) PDE6D
SCHEMBL22945987 0.83 PRKDC (0.34) PDE6D

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 519/4885PDE6D 342/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 KRAS 1811/4885TGFBR1 519/4885PDE6D 342/4885

“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.