SCHEMBL6476398

SCHEMBL6476398

N=C(N)c1ccc(CNC(=O)C2CCCCN2C(=O)CNC2CCCCC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.51
F10 P00742 1/20 0.48
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
ALDH1A1 P00352 1/20 0.44
FAP Q12884 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
SCHEMBL6487234 0.95 F2 (0.52) F2F10PLGPLATPRSS1
SCHEMBL6477216 0.87 ALDH1A1 (0.50) F2F10PLGPLATPRSS1
SCHEMBL23752337 0.84 F2 (0.69) F2ALDH1A1
SCHEMBL21067875 0.84 F2 (0.69) F2ALDH1A1
SCHEMBL23752608 0.84 F2 (0.69) F2ALDH1A1
SCHEMBL21067877 0.84 F2 (0.69) F2ALDH1A1
SCHEMBL21067839 0.83 F2 (0.71) F2ALDH1A1
SCHEMBL21067838 0.83 F2 (0.71) F2ALDH1A1
SCHEMBL6477871 0.82 F2 (0.54) F2F10PLGPLATPRSS1
SCHEMBL6475186 0.81 F2 (0.53) F2F10PLGPLATPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 F2 5/4885F10 23/4885PLG 78/4885

“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.