SCHEMBL21884601

SCHEMBL21884601

CC(C)CNC(=N)NC(=O)c1cc(C#N)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 3/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
P2RX1 P51575 1/20 0.39
ALDH1A1 P00352 2/20 0.37
ALOX12 P18054 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RECQL P46063 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
PLG P00747 2/20 0.35
F7 P08709 2/20 0.35
F3 P13726 2/20 0.35
ACACB O00763 1/20 0.35
ALOX5 P09917 1/20 0.35
MAOB P27338 1/20 0.34
LRRK2 Q5S007 1/20 0.34
EGLN1 Q9GZT9 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
SCHEMBL21884626 0.88 TMPRSS4 (0.42) TMPRSS4KMT2AMEN1P2RX1ALDH1A1
SCHEMBL21884386 0.88 TMPRSS4 (0.46) TMPRSS4KMT2AMEN1P2RX1ALDH1A1
SCHEMBL21884511 0.81 TMPRSS4 (0.44) TMPRSS4P2RX1
SCHEMBL21884388 0.81 TMPRSS4 (0.47) TMPRSS4KMT2AMEN1P2RX1LRRK2
SCHEMBL21884529 0.81 CDK1 (0.49) TMPRSS4P2RX1ALDH1A1LRRK2EGLN1
SCHEMBL21884600 0.80 AKR1C3 (0.42) TMPRSS4ALDH1A1
SCHEMBL23854882 0.80 TMPRSS4 (0.41) TMPRSS4KMT2AMEN1P2RX1ALDH1A1
SCHEMBL21884387 0.80 TMPRSS4 (0.41) TMPRSS4KMT2AMEN1P2RX1ALDH1A1
SCHEMBL21884488 0.80 ERCC1 (0.45) TMPRSS4KMT2AMEN1P2RX1ALDH1A1
SCHEMBL21884385 0.79 SCN9A (0.44) TMPRSS4P2RX1ALDH1A1GAAEGLN1

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 4 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-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 1380/4885KMT2A 1645/4885MEN1 3141/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 TMPRSS4 3136/4885KMT2A 3637/4885MEN1 2652/4885

“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.