SCHEMBL23902138

SCHEMBL23902138

N=C(N)c1ccc(C#Cc2cccc(C#Cc3ccc(C(=N)N)cc3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.67
PLAU P00749 3/20 0.57
MASP2 O00187 1/20 0.50
THPO P40225 1/20 0.50
F2 P00734 5/20 0.48
PRSS1 P07477 3/20 0.48
PRSS3 P35030 2/20 0.48
APEX1 P27695 1/20 0.48
F10 P00742 3/20 0.47
FURIN P09958 1/20 0.47
F12 P00748 1/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
PKM P14618 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
WDR5 P61964 1/20 0.45
LMNA P02545 1/20 0.45
BLM P54132 1/20 0.45
C1S P09871 2/20 0.43
PRSS2 P07478 1/20 0.43

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
SCHEMBL23902296 0.91 ASIC3 (0.58) ASIC3PLAUMASP2THPOF2
SCHEMBL18574217 0.88 ASIC3 (0.71) ASIC3PLAUMASP2THPOF2
SCHEMBL8973401 0.87 ASIC3 (0.58) ASIC3PLAUMASP2THPOF2
SCHEMBL18574572 0.82 ASIC3 (0.70) ASIC3PLAUF2PRSS1PRSS3
SCHEMBL23902145 0.78 MAOB (0.48) ASIC3F10LMNARECQL
SCHEMBL7336373 0.77 ASIC3 (0.77) ASIC3PLAUMASP2THPOF2
SCHEMBL23902187 0.76 NISCH (0.46) ASIC3PLAUF10
SCHEMBL11946677 0.74 ASIC3 (0.51) ASIC3PLAUMASP2THPOF2
SCHEMBL17469666 0.74 TMPRSS2 (0.61) ASIC3PLAUF2F10FURIN
SCHEMBL7337232 0.73 PLAU (1.00) ASIC3PLAUF2PRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 ASIC3 1204/4885PLAU 699/4885MASP2 317/4885

“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.