SCHEMBL5569462

SCHEMBL5569462

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2N(C)CC(=O)Nc2ccncn2)cc(OC)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KLKB1 P03952 1/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
F7 P08709 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5568085 0.90 NPC1 (0.42) F10KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL5563126 0.84 NOTUM (0.48) KMT2AMEN1USP2ALDH1A1NPSR1
SCHEMBL5563625 0.84 RAB9A (0.46) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL5565590 0.84 ALDH1A1 (0.42) F10KMT2AMEN1RXFP1ALDH1A1
SCHEMBL5563505 0.83 UBE2N (0.45) F10KMT2AMEN1RXFP1ALDH1A1
SCHEMBL5568637 0.83 MAPT (0.42) F10KMT2AMEN1RXFP1ALDH1A1
SCHEMBL5563924 0.83 KLKB1 (0.39) F10KMT2AMEN1RXFP1USP2
SCHEMBL5567456 0.82 ALDH1A1 (0.52) KMT2AMEN1RXFP1ALDH1A1SMN1; SMN2
SCHEMBL5565420 0.82 KDM4E (0.41) F10KMT2AMEN1RXFP1ALDH1A1
SCHEMBL5567716 0.82 ALDH1A1 (0.43) KMT2AMEN1RXFP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247654-B2 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-24 US claimed
US-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-01-13 US claimed

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-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors TFPI, HABP2, TFPI2 F10 13/4885KMT2A 712/4885MEN1 1479/4885

“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.