SCHEMBL23132942

SCHEMBL23132942

COc1cc(C2=CCOCC2)c(Cl)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ SUV39H2 Q9H5I1 2/20 0.42
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GCK P35557 1/20 0.34
▸ HSP90AA1 P07900 2/20 0.33
▸ HSP90AB1 P08238 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PIK3CA P42336 3/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL19175170 0.78 SUV39H2 (0.39) SUV39H2CCNT1CDK9GCKALDH1A1
SCHEMBL29236525 0.75 PIK3CA (0.34) SUV39H2PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL5222174 0.75 SUV39H2 (0.40) GAASUV39H2CCNT1CDK9HSP90AA1
SCHEMBL139296 0.75 GAA (0.72) GAANPC1HSP90AA1HSP90AB1POLB
SCHEMBL19175041 0.74 SUV39H2 (0.41) SUV39H2CCNT1CDK9GCKHSP90AA1
SCHEMBL15507834 0.74 ALDH1A1 (0.54) SUV39H2CCNT1CDK9PIK3CAPIK3CD
SCHEMBL29236532 0.70 IDH2 (0.35) SUV39H2GCKPIK3CAPIK3CDPIK3CB
SCHEMBL16821950 0.70 GAA (0.64) GAANPC1HSP90AA1HSP90AB1POLB
SCHEMBL18330519 0.70 SUV39H2 (0.44) SUV39H2CCNT1CDK9GCKPIK3CA
SCHEMBL25223348 0.70 AHR (0.34) SUV39H2PIK3CAPIK3CDPIK3CBPIK3CG

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-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 — — 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-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB GAA 2745/4885SUV39H2 4093/4885CCNT1 2357/4885

“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.

Send feedback