SCHEMBL5475231

SCHEMBL5475231

O=c1c(NCCC2CCCCN2)ncc(Cl)n1CCNCc1n[nH]c2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.51
F10 P00742 3/20 0.38
PLAT P00750 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
MCHR1 Q99705 2/20 0.35
CHEK1 O14757 1/20 0.34
CCR4 P51679 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8293011 0.92 F2 (0.59) F2F10PLATPRSS1PRSS2
SCHEMBL8292314 0.92 F2 (0.59) F2F10PLATPRSS1PRSS2
SCHEMBL8292315 0.90 F2 (0.56) F2F10PLATPRSS1PRSS2
SCHEMBL8294721 0.84 F2 (0.40) F2F10PLATPRSS1PRSS2
SCHEMBL5477502 0.82 F2 (0.41) F2F10PLATPRSS1PRSS2
SCHEMBL8293315 0.82 F2 (0.53) F2F10PLATPRSS1PRSS2
SCHEMBL5471503 0.82 F2 (0.38) F2F10PLATPRSS1PRSS2
SCHEMBL8292379 0.81 F2 (0.37) F2F10PLATPRSS1PRSS2
SCHEMBL8292318 0.80 F2 (0.51) F2F10PLATPRSS1PRSS2
SCHEMBL5479053 0.80 ALDH1A1 (0.37) F2IRAK4ALDH1A1MAPT

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-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 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-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 F2 1/4885F10 11/4885PLAT 12/4885

“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.