SCHEMBL22945331

SCHEMBL22945331

c1ccc(-c2nc(N3c4cc5ccccc5cc4-c4cccc5cccc3c45)nc3c2sc2ccccc23)nc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.39
TGFBR1 P36897 1/20 0.36
MIF P14174 1/20 0.33
GABRA1 P14867 1/20 0.33
DCTPP1 Q9H773 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTR2C P28335 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL22945756 0.93 KRAS (0.37) KRASTGFBR1MIFGABRA1DCTPP1
SCHEMBL22945102 0.92 KRAS (0.42) KRASTGFBR1MIFGABRA1DCTPP1
SCHEMBL22945333 0.89 ALDH1A1 (0.34) KRASALDH1A1KDM4EGAATP53
SCHEMBL22945011 0.88 KRAS (0.38) KRASTGFBR1MIFGABRA1DCTPP1
SCHEMBL22945764 0.88 ALDH1A1 (0.34) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL22944814 0.87 KRAS (0.39) KRASTGFBR1MIFGABRA1DCTPP1
SCHEMBL22944880 0.87 MAPK1 (0.34) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL22945534 0.87 ALOX5 (0.34) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL22945970 0.86 KRAS (0.39) KRASTGFBR1MIFGABRA1DCTPP1
SCHEMBL22945509 0.86 ALDH1A1 (0.33) ALDH1A1TP53HPGDTSHRMAPK1

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 519/4885MIF 4009/4885
US-11812658-B2 Compound and organic light emitting diode comprising same DRD1, DRD3, DRD2 KRAS 1811/4885TGFBR1 519/4885MIF 4009/4885

“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.