SCHEMBL4451561

SCHEMBL4451561

Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C3(C(=O)N4CCCC4)CC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 1.00
F10 P00742 5/20 1.00
PRSS1 P07477 3/20 1.00
PRSS2 P07478 3/20 1.00
PRSS3 P35030 3/20 1.00
PLG P00747 3/20 0.66
KLK1 P06870 1/20 0.56
KLK5 Q9Y337 1/20 0.56
SLC22A2 O15244 1/20 0.50
PLAT P00750 1/20 0.50
PROC P04070 1/20 0.50
HPN P05981 1/20 0.50
NQO2 P16083 1/20 0.50
SLC47A2 Q86VL8 1/20 0.50
SLC47A1 Q96FL8 1/20 0.50

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
Hydrochloric Acid SCHEMBL7410692 0.99 F2 (0.98) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7460376 0.98 F2 (0.97) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7411711 0.93 F2 (0.87) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7409688 0.90 F2 (0.81) F2F10PRSS1PRSS2PRSS3
SCHEMBL8031432 0.87 F2 (0.79) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8026423 0.86 F2 (0.78) F2F10PRSS1PRSS2PRSS3
SCHEMBL7415075 0.85 F2 (0.74) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7414866 0.84 F2 (0.71) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7415190 0.83 F2 (0.71) F2F10PRSS1PRSS2PRSS3
SCHEMBL4448769 0.83 F2 (0.71) F2F10PRSS1PRSS2PRSS3

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 1136/4885PRSS1 161/4885
US-20090022686-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF SYSTEMIC INFLAMMATORY RESPONSE SYNDROME IL5, TSLP, TLR5 F2 214/4885F10 1136/4885PRSS1 161/4885

“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.