SCHEMBL22419986

SCHEMBL22419986

C=Cc1c(/C=C\C)[nH]c2ncccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.38
PARP1 P09874 1/20 0.38
CHEK1 O14757 1/20 0.35
FEN1 P39748 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PDK2 Q15119 1/20 0.33
HTT P42858 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
AXL P30530 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
LOXL3 P58215 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 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
SCHEMBL20405134 0.85 AURKA (0.38) AURKAPARP1CHEK1FEN1KMT2A
SCHEMBL7965933 0.81 KMT2A (0.45) AURKAPARP1FEN1KMT2AMEN1
SCHEMBL12900321 0.74 HPGD (0.39) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL24354877 0.74 AURKA (0.42) AURKAPARP1CHEK1FEN1KMT2A
SCHEMBL13451893 0.73 ACHE (0.40) AURKAPARP1FEN1MAPTALDH1A1
SCHEMBL24354886 0.72 AURKA (0.40) AURKAPARP1CHEK1FEN1KMT2A
SCHEMBL1779138 0.72 ADORA2A (0.44) AURKAPARP1CHEK1KMT2AMEN1
SCHEMBL1779139 0.72 ADORA2A (0.44) AURKAPARP1CHEK1KMT2AMEN1
SCHEMBL17178085 0.71 AHR (0.42) CHEK1KMT2AMEN1MAPTALDH1A1
SCHEMBL18157770 0.71 ALK (0.51) AURKAPARP1CHEK1KMT2AMEN1

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-10777749-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-09-15 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-10777749-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, JUND AURKA 2487/4885PARP1 1358/4885CHEK1 3688/4885

“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.