SCHEMBL5567445

SCHEMBL5567445

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2NCCNC(C)=O)cc(OC)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 4/20 0.40
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
PI4KB Q9UBF8 1/20 0.37
ROCK2 O75116 1/20 0.37
PRSS1 P07477 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5563914 0.92 MEN1 (0.50) RXFP1MEN1KMT2AMAPTF10
SCHEMBL5567540 0.91 MEN1 (0.50) RXFP1MEN1KMT2AMAPTF10
SCHEMBL5563116 0.90 MEN1 (0.48) RXFP1MEN1KMT2AMAPTF10
SCHEMBL5567376 0.90 MEN1 (0.51) RXFP1MEN1KMT2AMAPTF10
SCHEMBL5564436 0.90 MEN1 (0.49) RXFP1MEN1KMT2AMAPTF10
SCHEMBL5568309 0.90 MEN1 (0.49) RXFP1MEN1KMT2AMAPTF10
SCHEMBL5568458 0.90 MEN1 (0.49) RXFP1MEN1KMT2AMAPTF10
SCHEMBL5568597 0.89 MEN1 (0.46) RXFP1MEN1KMT2AMAPTF10
SCHEMBL5563773 0.88 MEN1 (0.47) RXFP1MEN1KMT2AMAPTF10
SCHEMBL5568503 0.88 MEN1 (0.48) RXFP1MEN1KMT2AMAPTF10

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 8 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
EP-1628947-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-01 EP 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
WO-2004110374-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-23 WO claimed
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 disclosed
EP-1628947-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-01 EP disclosed
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 disclosed
WO-2004110374-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-23 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-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors TFPI, HABP2, TFPI2 RXFP1 2808/4885MEN1 1479/4885KMT2A 712/4885

“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.