SCHEMBL8405136

SCHEMBL8405136

Cc1cc(C(=N)N)ccc1S

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.67
PRSS3 P35030 5/20 0.67
PRSS2 P07478 4/20 0.67
C1S P09871 2/20 0.45
PLAU P00749 3/20 0.44
F2 P00734 2/20 0.44
PLG P00747 1/20 0.44
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
F12 P00748 1/20 0.42
LMNA P02545 1/20 0.41
MASP2 O00187 1/20 0.41
THPO P40225 1/20 0.41
NQO2 P16083 1/20 0.40
APEX1 P27695 1/20 0.40
ST14 Q9Y5Y6 1/20 0.39

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
SCHEMBL8404520 0.80 PRSS1 (1.00) PRSS1PRSS3PRSS2C1SPLAU
SCHEMBL8404521 0.79 PARP1 (0.48) PRSS1PRSS3PRSS2
Hydrochloric Acid SCHEMBL5118627 0.78 PRSS1 (0.95) PRSS1PRSS3PRSS2C1SPLAU
SCHEMBL10144259 0.77 PRSS1 (0.69) PRSS1PRSS3PRSS2C1SPLAU
SCHEMBL10143065 0.77 PRSS1 (0.69) PRSS1PRSS3PRSS2C1SPLAU
SCHEMBL27569975 0.76 PRSS1 (0.35) PRSS1PRSS3PRSS2
SCHEMBL8147309 0.75 PRSS1 (0.67) PRSS1PRSS3PRSS2C1SPLAU
SCHEMBL14099339 0.75 PRSS1 (0.67) PRSS1PRSS3PRSS2C1SPLAU
SCHEMBL19269064 0.75 PRSS1 (0.67) PRSS1PRSS3PRSS2C1SPLAU
SCHEMBL27830208 0.74 HTT (0.53) LMNA

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-7727981-B2 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders MILLENNIUM PHARMACEUTICALS, INC. 2009-05-21 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 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-20090131411-A1 monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders F12, F2, PIGS PRSS1 36/4885PRSS3 47/4885PRSS2 38/4885

“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.