SCHEMBL21884626

SCHEMBL21884626

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 3/20 0.42
KDR P35968 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
GSK3B P49841 1/20 0.41
PRKDC P78527 1/20 0.41
KCNH2 Q12809 1/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX1 P51575 1/20 0.37
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ANO1 Q5XXA6 2/20 0.33
EGLN1 Q9GZT9 3/20 0.32
P2RX7 Q99572 1/20 0.32
ERCC1 P07992 1/20 0.32

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
SCHEMBL21884601 0.88 TMPRSS4 (0.44) TMPRSS4MEN1KMT2AP2RX1ALDH1A1
SCHEMBL21884386 0.86 TMPRSS4 (0.46) TMPRSS4MEN1KMT2AP2RX1ALDH1A1
SCHEMBL21884388 0.80 TMPRSS4 (0.47) TMPRSS4MEN1KMT2AP2RX1NAAA
SCHEMBL21884511 0.80 TMPRSS4 (0.44) TMPRSS4P2RX1ERCC1ERCC4
SCHEMBL21884385 0.80 SCN9A (0.44) TMPRSS4P2RX1NAAAALDH1A1EGLN1
SCHEMBL21884529 0.79 CDK1 (0.49) TMPRSS4P2RX1NAAAALDH1A1LRRK2
SCHEMBL21884600 0.78 AKR1C3 (0.42) TMPRSS4ALDH1A1ERCC1ERCC4
SCHEMBL21884488 0.78 ERCC1 (0.45) TMPRSS4MTORGSK3BMEN1KMT2A
SCHEMBL21884378 0.77 TMPRSS4 (0.50) TMPRSS4P2RX1LRRK2EGLN1
SCHEMBL23854882 0.76 TMPRSS4 (0.41) TMPRSS4ATMMEN1KMT2AP2RX1

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 1380/4885KDR 1860/4885PIK3CA 3371/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 TMPRSS4 3136/4885KDR 3467/4885PIK3CA 2114/4885

“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.