SCHEMBL13813622

SCHEMBL13813622

CCCCOc1cccc(C(=N)N)c1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.81
F2 P00734 6/20 0.74
PRSS2 P07478 2/20 0.74
PRSS3 P35030 2/20 0.74
PLG P00747 1/20 0.74
C1S P09871 1/20 0.74

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
SCHEMBL29079516 0.94 PRSS1 (0.85) PRSS1F2PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL29027359 0.92 PRSS1 (0.85) PRSS1F2PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL30400933 0.92 PRSS1 (0.85) PRSS1F2PRSS2PRSS3PLG
SCHEMBL13901353 0.92 PRSS1 (0.78) PRSS1F2PRSS2PRSS3PLG
SCHEMBL14599539 0.88 PRSS1 (1.00) PRSS1F2PRSS2PRSS3PLG
SCHEMBL12989513 0.88 PRSS1 (1.00) PRSS1F2PRSS2PRSS3PLG
SCHEMBL14599537 0.88 PRSS1 (1.00) PRSS1F2PRSS2PRSS3PLG
SCHEMBL14599540 0.86 PRSS1 (0.88) PRSS1F2PRSS2PRSS3PLG
SCHEMBL19430950 0.84 PRSS1 (0.59) PRSS1F2PLG
SCHEMBL12989612 0.84 PRSS1 (0.90) PRSS1F2PRSS2PRSS3PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 US disclosed
WO-2007042806-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 WO 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-20090156601-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER NR3C1, NR4A3, NR4A1 PRSS1 2548/4885F2 3394/4885PRSS2 3769/4885

“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.