SCHEMBL3008902

SCHEMBL3008902

NC(Cc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)NCC2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.51
ROCK1 Q13464 2/20 0.51
CIT O14578 1/20 0.47
BACE1 P56817 2/20 0.47
AKT1 P31749 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
GPR142 Q7Z601 2/20 0.44
PARP11 Q9NR21 1/20 0.44
F7 P08709 1/20 0.43
PARP1 P09874 1/20 0.43
F3 P13726 1/20 0.43
PARP10 Q53GL7 1/20 0.43
NAMPT P43490 1/20 0.41
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41
CHEK1 O14757 1/20 0.41

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
SCHEMBL3008897 1.00 ROCK2 (0.51) ROCK2ROCK1CITBACE1AKT1
SCHEMBL2994686 0.89 ROCK2 (0.52) ROCK2ROCK1CITBACE1AKT1
SCHEMBL2994692 0.89 ROCK2 (0.52) ROCK2ROCK1CITBACE1AKT1
SCHEMBL23486352 0.82 ROCK2 (0.55) ROCK2ROCK1CITBACE1AKT1
SCHEMBL23486353 0.82 ROCK2 (0.55) ROCK2ROCK1CITBACE1AKT1
SCHEMBL21460002 0.77 PARP10 (0.58) PARP11F7PARP1F3PARP10
SCHEMBL1950625 0.75 MAOA (0.58) PARP11F7PARP1F3PARP10
SCHEMBL3010990 0.75 THRB (0.58) ROCK2ROCK1
SCHEMBL3010986 0.75 THRB (0.58) ROCK2ROCK1
SCHEMBL23486610 0.74 PSMB8 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152664-B1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-09-03 EP disclosed
CN-101784516-B Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2014-07-02 CN disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 ROCK2 3532/4885ROCK1 2739/4885CIT 2544/4885

“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.