SCHEMBL21884525

SCHEMBL21884525

N#Cc1ccc(O)c(C(=O)NC(=N)NCc2cnco2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.47
ELANE P08246 1/20 0.39
TMPRSS4 Q9NRS4 3/20 0.39
LRRK2 Q5S007 1/20 0.35
P2RX1 P51575 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
FLT1 P17948 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33

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
SCHEMBL21884528 0.81 NAMPT (0.47) NAMPTTMPRSS4
SCHEMBL21884511 0.80 TMPRSS4 (0.44) NAMPTTMPRSS4P2RX1
SCHEMBL21884488 0.78 ERCC1 (0.45) TMPRSS4P2RX1
SCHEMBL21884386 0.77 TMPRSS4 (0.46) NAMPTELANETMPRSS4LRRK2P2RX1
SCHEMBL21884600 0.76 AKR1C3 (0.42) TMPRSS4
SCHEMBL21884388 0.75 TMPRSS4 (0.47) ELANETMPRSS4LRRK2P2RX1EGLN1
SCHEMBL21884526 0.75 TMPRSS4 (0.39) NAMPTTMPRSS4LRRK2P2RX1EGLN1
SCHEMBL21884527 0.74 TMPRSS4 (0.42) TMPRSS4P2RX1
SCHEMBL21884529 0.74 CDK1 (0.49) NAMPTELANETMPRSS4LRRK2P2RX1
SCHEMBL21884601 0.74 TMPRSS4 (0.44) TMPRSS4LRRK2P2RX1EGLN1

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 NAMPT 398/4885ELANE 1895/4885TMPRSS4 1380/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 NAMPT 2275/4885ELANE 1677/4885TMPRSS4 3136/4885

“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.