SCHEMBL21884643

SCHEMBL21884643

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 3/20 0.51
P2RX1 P51575 1/20 0.45
LRRK2 Q5S007 1/20 0.39
F2 P00734 3/20 0.38
F10 P00742 3/20 0.38
PLAU P00749 3/20 0.38
PLAT P00750 3/20 0.38
CXCR2 P25025 3/20 0.37
CXCR1 P25024 2/20 0.37
HNF4A P41235 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
CASP1 P29466 1/20 0.36
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL9372371 0.79 TMPRSS4 (0.49) TMPRSS4P2RX1CXCR2CXCR1HNF4A
SCHEMBL21884470 0.78 KMT2A (0.40) TMPRSS4F2F10PLAUPLAT
SCHEMBL21884388 0.77 TMPRSS4 (0.47) TMPRSS4P2RX1LRRK2CYSLTR2CYSLTR1
SCHEMBL21884407 0.77 NPC1 (0.51) TMPRSS4P2RX1
SCHEMBL21884511 0.77 TMPRSS4 (0.44) TMPRSS4P2RX1
SCHEMBL21884625 0.77 ACLY (0.47) TMPRSS4P2RX1F2F10PLAU
SCHEMBL23875335 0.76 P2RX1 (0.57) TMPRSS4P2RX1
SCHEMBL21884644 0.76 PPIA (0.50) TMPRSS4P2RX1F2F10PLAU
SCHEMBL21884653 0.76 PLAU (0.61) TMPRSS4F2F10PLAUPLAT
SCHEMBL21884390 0.76 TMPRSS4 (0.44) TMPRSS4P2RX1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 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 (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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 TMPRSS4 1380/4885P2RX1 3206/4885LRRK2 3750/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 TMPRSS4 3136/4885P2RX1 4811/4885LRRK2 623/4885

“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.