SCHEMBL18170650

SCHEMBL18170650

COc1ccccc1-c1ccc(N)c2c1C(=O)NC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
FGB P02675 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
MAPK1 P28482 1/20 0.54
PPARG P37231 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
NCOA2 Q15596 1/20 0.54
NCOA1 Q15788 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
STK10 O94804 15/20 0.52
SLK Q9H2G2 15/20 0.52
GSK3B P49841 4/20 0.50
CHEK1 O14757 2/20 0.48
WEE1 P30291 1/20 0.48

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
SCHEMBL18170553 0.87 RAB9A (0.47) ADORA2AMEN1ALDH1A1FGBPOLB
SCHEMBL18170943 0.74 CASP3 (0.54) MEN1POLBMAPTMAPK1RAB9A
SCHEMBL28621084 0.73 ALDH1A1 (0.48) ADORA2AMEN1ALDH1A1FGBPOLB
SCHEMBL7429649 0.73 THRB (0.55) ADORA2AMEN1ALDH1A1POLBMAPT
SCHEMBL384815 0.73 TOP1 (0.55) MEN1ALDH1A1MAPTKMT2ASTK10
SCHEMBL18170525 0.73 MAOA (0.45) ADORA2AMEN1ALDH1A1POLBMAPT
SCHEMBL29378366 0.73 TOP1 (0.55) MEN1ALDH1A1MAPTKMT2ASTK10
SCHEMBL11307123 0.72 WEE1 (0.51) ADORA2AMEN1ALDH1A1FGBPOLB
SCHEMBL395260 0.72 ALDH1A1 (0.67) ADORA2AMEN1ALDH1A1FGBPOLB
SCHEMBL6840031 0.71 ALDH1A1 (0.57) ADORA2AMEN1ALDH1A1FGBPOLB

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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US claimed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 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-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA ADORA2A 4268/4885MEN1 1064/4885ALDH1A1 4760/4885

“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.