SCHEMBL5626124

SCHEMBL5626124

N=C(N)c1cccc(-c2ccc(O)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.75
PRSS2 P07478 2/20 0.75
PRSS3 P35030 2/20 0.75
MEN1 O00255 1/20 0.59
ESR1 P03372 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B1 P14061 2/20 0.55
HSD17B2 P37059 2/20 0.55
LMNA P02545 1/20 0.54
WDR5 P61964 1/20 0.53
ABL1 P00519 1/20 0.52
ABCB1 P08183 1/20 0.52
BCR P11274 1/20 0.52
F2 P00734 2/20 0.50
C1S P09871 1/20 0.50
ESR2 Q92731 1/20 0.50
PLG P00747 1/20 0.50
F12 P00748 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 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
SCHEMBL14676446 0.86 PRSS1 (1.00) PRSS1PRSS2PRSS3KMT2AWDR5
Hydrochloric Acid SCHEMBL9792863 0.86 PRSS1 (0.83) PRSS1PRSS2PRSS3KMT2AWDR5
Hydrochloric Acid SCHEMBL697893 0.84 PRSS1 (0.96) PRSS1PRSS2PRSS3KMT2AWDR5
SCHEMBL1715332 0.83 PRSS1 (0.72) PRSS1PRSS2PRSS3WDR5F2
SCHEMBL17696875 0.83 PRSS1 (0.72) PRSS1PRSS2PRSS3WDR5F2
SCHEMBL1788218 0.81 PARP1 (0.62) MEN1ESR1KMT2AHSD17B1HSD17B2
SCHEMBL19608276 0.81 MEN1 (0.59) PRSS1PRSS2PRSS3MEN1ESR1
SCHEMBL23268275 0.78 PRSS1 (0.71) PRSS1PRSS2PRSS3WDR5F2
SCHEMBL7359286 0.77 PARP1 (0.61) PRSS1PRSS2PRSS3LMNAF2
SCHEMBL17774314 0.77 PRSS1 (0.69) PRSS1PRSS2PRSS3F2C1S

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-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-20050113424-A1 Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD (JP) 2005-05-26 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-20050113424-A1 Novel arylamidine derivative or salt thereof SLC7A1, NAT1, NACA PRSS1 1149/4885PRSS2 1628/4885PRSS3 2204/4885

“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.