SCHEMBL29633228

SCHEMBL29633228

N=C(N)c1cncc(CCCCCCCc2cncc(C(=N)N)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
HRH1 P35367 2/20 0.36
KLK1 P06870 1/20 0.35
F10 P00742 2/20 0.34
PRMT1 Q99873 3/20 0.34
F2 P00734 2/20 0.34
ST14 Q9Y5Y6 2/20 0.34
PLAU P00749 1/20 0.34
PRMT5 O14744 1/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
TMPRSS2 O15393 1/20 0.34
PTP4A3 O75365 1/20 0.34
SLC22A3 O75751 1/20 0.34
PLG P00747 1/20 0.34
S100B P04271 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL22120636 1.00 PRSS1 (0.38) PRSS1PRSS2PRSS3LOXL2HRH1
SCHEMBL30827012 0.81 CYP11B1 (0.47)
SCHEMBL1924159 0.79 SMYD3 (0.46) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL28628101 0.77 PRSS1 (0.44) PRSS1PRSS2PRSS3KLK1F10
SCHEMBL2530451 0.73 GPR84 (0.44)
SCHEMBL24358735 0.72 PRSS1 (0.67) PRSS1PRSS2PRSS3LOXL2F10
SCHEMBL22120199 0.70 ATM (0.57) LOXL2
SCHEMBL2566879 0.69 RARB (0.55)
SCHEMBL6652760 0.68 POLB (0.55)
SCHEMBL30936046 0.68 HCAR2 (0.55) PRSS1PRSS2PRSS3F10F2

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-20250388542-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. (US) 2025-12-25 US disclosed
US-20220144776-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR AURANSA INC. 2022-05-12 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-20250388542-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR MALT1, SLC38A7, SLC7A1 PRSS1 1468/4885PRSS2 2579/4885PRSS3 3084/4885
US-20220144776-A1 ANALOGUES OF PENTAMIDINE AND USES THEREFOR DPYD, TYMP, GOT1 PRSS1 2086/4885PRSS2 3033/4885PRSS3 3484/4885

“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.