SCHEMBL4448766

SCHEMBL4448766

Cn1c(C(N)c2ccc(C(=N)N)cc2)nc2cc(C3(C(=O)N4CCCC4CCC(=O)O)CC3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.59
F10 P00742 9/20 0.59
PLG P00747 6/20 0.59
PRSS1 P07477 5/20 0.48
PRSS2 P07478 3/20 0.48
PRSS3 P35030 3/20 0.48

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
SCHEMBL4448769 0.83 F2 (0.71) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7416189 0.83 F2 (0.70) F2F10PLGPRSS1PRSS2
SCHEMBL4451560 0.82 F2 (0.65) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7414866 0.81 F2 (0.71) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7415346 0.75 F2 (0.65) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7414922 0.75 F2 (0.65) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7426105 0.73 F2 (0.98) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7967825 0.73 F2 (0.81) F2F10PLGPRSS1PRSS2
SCHEMBL6455654 0.73 F2 (0.46) F2F10PLGPRSS1PRSS2
Hydrochloric Acid SCHEMBL7407701 0.73 F2 (0.67) F2F10PLGPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP claimed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US claimed
US-20090022686-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-01-22 US disclosed
EP-1517687-B1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA (DE) 2007-06-20 EP disclosed
US-20040023975-A1 Pharmaceutical compositions for the treatment of systemic inflammatory response syndrome BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-02-05 US disclosed
EP-1095025-B1 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2002-12-11 EP disclosed
US-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 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 (2 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-20040023975-A1 Pharmaceutical compositions for the treatment of systemic inflammatory response syndrome IL5, TSLP, TLR5 F2 214/4885F10 1136/4885PLG 453/4885
US-20090022686-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SYSTEMIC INFLAMMATORY RESPONSE SYNDROME IL5, TSLP, TLR5 F2 214/4885F10 1136/4885PLG 453/4885

“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.