SCHEMBL23081547

SCHEMBL23081547

N#Cc1ccc(-c2c3cc4c(cc3c(-c3ccc(C#N)cc3)c3c5cccc6cccc(c23)c65)c2cccc3cccc4c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
SLC22A12 Q96S37 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
MMP3 P08254 1/20 0.34
AR P10275 2/20 0.33
MCL1 Q07820 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDPK1 O15530 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL14680439 0.97 CA1 (0.36) CA1CA2SLC22A12TNKSPARP1
SCHEMBL15960555 0.92 CA1 (0.39) CA1CA2SLC22A12TNKSPARP1
SCHEMBL21423351 0.89 CYP1A2 (0.38) CA1CA2SLC22A12TNKSPARP1
SCHEMBL13492644 0.89 MMP3 (0.44) CA1CA2SLC22A12TNKSPARP1
SCHEMBL17598849 0.88 CA1 (0.38) CA1CA2SLC22A12TNKSPARP1
SCHEMBL17119049 0.88 CA1 (0.38) CA1CA2SLC22A12TNKSPARP1
SCHEMBL23081541 0.88 CA1 (0.35) CA1CA2SLC22A12MCL1MEN1
SCHEMBL17487130 0.87 CA1 (0.40) CA1CA2SLC22A12TNKSPARP1
SCHEMBL17487135 0.87 CA1 (0.40) CA1CA2SLC22A12TNKSPARP1
SCHEMBL23081237 0.86 CLK4 (0.42) CA1CA2MEN1KMT2AIDO1

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 CA1 3166/4885CA2 3158/4885SLC22A12 2763/4885

“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.