SCHEMBL4815788

SCHEMBL4815788

COc1ccc(C(c2ccc(OC)cc2)n2nc(-c3ccsc3)c3c2-c2cc(CNC(=O)c4cccnc4)ccc2C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 5/20 0.43
AMY1A P0DUB6 2/20 0.43
KMT2A Q03164 4/20 0.41
GAA P10253 1/20 0.41
HDAC1 Q13547 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4820064 0.92 LMNA (0.43) KMT2AGAAHDAC1HDAC3HDAC4
SCHEMBL4816463 0.85 PTGES (0.37) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4807491 0.85 LMNA (0.36) KMT2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL4816274 0.85 PTGES (0.37) KMT2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL4817756 0.84 KDR (0.36) GAAHDAC1HDAC3HDAC4HDAC7
SCHEMBL4817027 0.83 KDR (0.38) GAAROCK2
SCHEMBL4812254 0.82 CHEK1 (0.35) KMT2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL4810667 0.82 LMNA (0.42) KMT2AGAAHDAC1HDAC3HDAC4
SCHEMBL4810260 0.81 CNR1 (0.39) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4814988 0.81 ALDH1A1 (0.39) GAAALDH1A1MAPTL3MBTL1KDM4E

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
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 MGAM 4256/4885AMY1A 4850/4885KMT2A 1384/4885

“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.