SCHEMBL6510593

SCHEMBL6510593

COC(=O)c1ccccc1NCCNC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
GLA P06280 1/20 0.61
MALT1 Q9UDY8 1/20 0.52
BCHE P06276 1/20 0.50
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
GAA P10253 2/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
BRD4 O60885 1/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 5/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL27331810 0.82 IDO1 (0.47) KDM4EGLAMALT1BCHEKMT2A
SCHEMBL25513515 0.82 PDE3B (0.45) KDM4EGLAMALT1BCHEPOLB
SCHEMBL2975056 0.81 MALT1 (0.54) MALT1BCHEPOLBBRD4DDB1
SCHEMBL29655427 0.81 MALT1 (0.54) MALT1BCHEPOLBBRD4DDB1
SCHEMBL30597277 0.81 MALT1 (0.57) MALT1BCHEKMT2APOLBGAA
SCHEMBL25470877 0.81 MALT1 (0.54) MALT1BCHEKMT2APOLBMEN1
SCHEMBL988485 0.81 MALT1 (0.57) MALT1BCHEKMT2APOLBGAA
SCHEMBL13921983 0.80 KDM4E (0.59) KDM4EGLAKMT2APOLBATM
SCHEMBL9330701 0.80 KMT2A (0.61) KDM4EKMT2APOLBATMGAA
SCHEMBL166559 0.80 LMNA (0.55) MALT1BCHEKMT2AMEN1NPC1

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-3344616-B1 SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS ONCOARENDI THERAPEUTICS SA (PL) 2019-01-09 EP disclosed
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 KDM4E 1251/4885GLA 3621/4885MALT1 1440/4885

“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.