SCHEMBL9607771

SCHEMBL9607771

N=C(N)c1ccc2[nH]c(-c3ncnc(-c4ccccc4)c3O)nc2c1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.83
F7 P08709 5/20 0.83
F9 P00740 4/20 0.83
F11 P03951 3/20 0.83
PLAU P00749 8/20 0.56
PRSS1 P07477 7/20 0.56
F2 P00734 10/20 0.54
PLG P00747 7/20 0.54
PLAT P00750 7/20 0.54
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
HPN P05981 1/20 0.47
KLKB1 P03952 1/20 0.45

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
SCHEMBL1232783 0.91 F10 (1.00) F10F7F9F11PLAU
SCHEMBL1232343 0.89 F10 (0.84) F10F7F9F11PLAU
SCHEMBL14599542 0.83 PLAU (0.79) F10F7F9F11PLAU
SCHEMBL7973887 0.81 F10 (0.70) F10F7F9F11PLAU
SCHEMBL6918372 0.80 F10 (1.00) F10F7F9F11PLAU
SCHEMBL1302567 0.79 PLAU (0.83) F10F7F9PLAUPRSS1
SCHEMBL10140728 0.78 F10 (0.53) F10F7F9F11PLAU
Hydrochloric Acid SCHEMBL11293360 0.76 PLAU (0.64) F10F7F9F11PLAU
SCHEMBL7399288 0.76 F10 (0.55) F10F7F9F11PLAU
SCHEMBL23793907 0.76 F2 (0.83) F10F7F9PLAUPRSS1

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
EP-2462123-B1 4,5,6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2013-10-02 EP disclosed
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2012-05-31 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-20120136016-A1 4, 5, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES AS FACTOR IXA INHIBITORS F9, F8, F12 F10 9/4885F7 7/4885F9 1/4885

“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.