SCHEMBL23081551

SCHEMBL23081551

N#Cc1ccc(C#N)c(-c2c3cc4c5ccccc5c5cccc(c3c(-c3cc(C#N)ccc3C#N)c3c6ccc7c8ccc9c%10c(ccc(c%11ccc(c23)c6c%117)c%108)-c2ccccc2-9)c54)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.33
CCNB2 O95067 2/20 0.31
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
GSK3B P49841 2/20 0.31
CCNB3 Q8WWL7 2/20 0.31
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
PTK2B Q14289 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
SCHEMBL23081236 0.88 MEN1 (0.33) KMT2A
SCHEMBL22824051 0.86 PARP14 (0.31) PARP14CCNB2CDK1CCNB1GSK3B
SCHEMBL23081550 0.84 CA1 (0.33) ALDH1A1
SCHEMBL23081323 0.80 CA1 (0.37) PARP14ALDH1A1MAPTHTT
SCHEMBL14140050 0.80 MEN1 (0.34) PARP14ALDH1A1KMT2A
SCHEMBL14242949 0.80 MEN1 (0.34) PARP14ALDH1A1KMT2A
SCHEMBL22727833 0.78 MAOA (0.32) ALDH1A1MAPT
SCHEMBL22727720 0.77 PARP14 (0.33) PARP14ALDH1A1
SCHEMBL23349024 0.77 CA1 (0.39) ALDH1A1MAPTHTTKMT2A
SCHEMBL11954571 0.77 CA1 (0.37) PARP14CCNB2CDK1CCNB1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070677-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, LIGHTING APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE CANON KABUSHIKI KAISHA (JP) 2021-03-11 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-20210070677-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, PHOTOELECTRIC CONVERSION APPARATUS, ELECTRONIC APPARATUS, LIGHTING APPARATUS, MOVING OBJECT, AND EXPOSURE LIGHT SOURCE CYP1A1, AOX1, CYP1B1 PARP14 3524/4885CCNB2 112/4885CDK1 507/4885

“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.