SCHEMBL3675588

SCHEMBL3675588

NC(=O)c1cccc(-c2c[nH]c3ccccc23)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 8/20 0.74
MAPK1 P28482 2/20 0.55
CDC7 O00311 1/20 0.55
PLK4 O00444 1/20 0.55
CHEK1 O14757 1/20 0.55
AURKA O14965 1/20 0.55
MAPK13 O15264 1/20 0.55
PDPK1 O15530 1/20 0.55
DYRK3 O43781 1/20 0.55
ROCK2 O75116 1/20 0.55
RPS6KA5 O75582 1/20 0.55
PRKD3 O94806 1/20 0.55
PAK4 O96013 1/20 0.55
CHEK2 O96017 1/20 0.55
ABL1 P00519 1/20 0.55
EGFR P00533 1/20 0.55
NTRK1 P04629 1/20 0.55
INSR P06213 1/20 0.55
LCK P06239 1/20 0.55
FYN P06241 1/20 0.55

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
SCHEMBL19608241 0.85 ASH1L (1.00) ASH1LTDO2
SCHEMBL21004250 0.85 ASH1L (0.74) ASH1LMAPK1TDO2NR4A2IMPDH2
SCHEMBL13302236 0.83 HTR1A (0.55) ASH1LALDH1A1ATMHSD17B10
SCHEMBL27576391 0.83 CLK1 (0.53) ASH1LMAPK1CDC7PLK4CHEK1
SCHEMBL21004081 0.82 ASH1L (0.65) ASH1LMAPK1CDC7PLK4CHEK1
SCHEMBL19608341 0.82 ASH1L (0.87) ASH1LMAPK1CDC7PLK4CHEK1
SCHEMBL3661287 0.82 ASH1L (0.74) ASH1LABL1CSNK2A1PRKCIBRD4
SCHEMBL27613441 0.81 ASH1L (0.60) ASH1LMAPK1TDO2NR4A2IMPDH2
SCHEMBL7382964 0.80 GSK3B (0.53) ASH1LMAPK1CDC7PLK4CHEK1
SCHEMBL22044083 0.79 BACE1 (0.71) ASH1LDYRK3ROCK2PRKD3NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
EP-2183217-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-05-12 EP disclosed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 WO 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-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, MC2R, NR3C2 ASH1L 2174/4885MAPK1 865/4885CDC7 1841/4885

“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.