SCHEMBL4158841

SCHEMBL4158841

NC(=O)c1ccccc1C[CH]c1cc(-c2ccc3[nH]c(=O)cc(O)c3c2)ncn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
XDH P47989 1/20 0.33
AR P10275 1/20 0.32
RPS6KB1 P23443 2/20 0.32
PDPK1 O15530 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
AURKA O14965 1/20 0.31
BRAF P15056 1/20 0.31
PI4K2A Q9BTU6 1/20 0.30
PI4KB Q9UBF8 1/20 0.30
JAK2 O60674 1/20 0.30

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
SCHEMBL4146638 0.79 KDM4E (0.37) BRD4KDM4EALDH1A1ARTLR8
SCHEMBL4650174 0.79 KMO (0.43) KDM4ERPS6KB1AURKA
SCHEMBL4797142 0.71 GPR52 (0.38) MKNK1MKNK2PI4K2A
SCHEMBL4806388 0.70 CSF1R (0.37) MKNK1MKNK2JAK2
SCHEMBL4796029 0.69 ACVR1 (0.47)
SCHEMBL4158845 0.69 ROCK2 (0.41) BRD4KDM4EALDH1A1XDHAR
SCHEMBL4802582 0.66 MAPK1 (0.50) KDM4EALDH1A1XDH
SCHEMBL4798614 0.65 PDPK1 (0.47) RPS6KB1PDPK1MKNK1MKNK2AURKA
SCHEMBL5168511 0.65 SIRT2 (0.42) KDM4EALDH1A1MKNK2JAK2
SCHEMBL9724160 0.64 KDM4E (0.64) BRD4KDM4EALDH1A1ARTLR8

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-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US claimed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP disclosed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 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-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 BRD4 2366/4885KDM4E 1947/4885ALDH1A1 3910/4885

“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.