SCHEMBL4746020

SCHEMBL4746020

c1cnc2c(c1)-c1cccc3c1c-2cc1c2ccccc2c(-c2ccc4cccnc4c2)cc31

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.40
ALDH1A1 P00352 4/20 0.38
CASP1 P29466 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
NR4A2 P43354 1/20 0.37
ERN1 O75460 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL13320345 0.91 ALDH1A1 (0.47) TGFBR1ALDH1A1CASP1HPGDTSHR
SCHEMBL4746017 0.90 POLB (0.49) TGFBR1ALDH1A1CASP1HPGDTSHR
SCHEMBL4745816 0.90 HTR2B (0.40) ALDH1A1CASP1HPGDTSHRMAPK1
SCHEMBL4746386 0.90 ALDH1A1 (0.38) TGFBR1ALDH1A1CASP1HPGDTSHR
SCHEMBL4746384 0.88 ALDH1A1 (0.37) TGFBR1ALDH1A1CASP1HPGDTSHR
SCHEMBL4746287 0.87 PTPRC (0.39) TGFBR1ALDH1A1CASP1HPGDTSHR
SCHEMBL4746300 0.85 PTPRC (0.38) TGFBR1ALDH1A1CASP1HPGDTSHR
SCHEMBL4746298 0.85 PTPRC (0.38) TGFBR1ALDH1A1CASP1HPGDTSHR
SCHEMBL4745902 0.85 ALDH1A1 (0.41) TGFBR1ALDH1A1CASP1HPGDTSHR
SCHEMBL4746464 0.84 ALDH1A1 (0.47) ALDH1A1CASP1HPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173275-B2 Azaindenochrysene derivative and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2012-05-08 US disclosed
US-8173275-B2 Azaindenochrysene derivative and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2012-05-08 US disclosed
US-20100117526-A1 NOVEL AZAINDENOCHRYSENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2010-05-13 US disclosed
US-20100117526-A1 NOVEL AZAINDENOCHRYSENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2010-05-13 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 (1 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-20100117526-A1 NOVEL AZAINDENOCHRYSENE DERIVATIVE AND ORGANIC LIGHT-EMITTING DEVICE NR2E3, OR51E2, AZI2 TGFBR1 1895/4885ALDH1A1 179/4885CASP1 1264/4885

“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.