SCHEMBL21884415

SCHEMBL21884415

N#Cc1ccc(O)c(C(=O)NC(=N)NCc2cccc(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.49
TMPRSS4 Q9NRS4 4/20 0.46
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
EGLN2 Q96KS0 1/20 0.44
VNN1 O95497 1/20 0.41
APEX1 P27695 1/20 0.40
NPC1 O15118 1/20 0.40
TUBB P07437 1/20 0.40
AKR1B1 P15121 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
MEN1 O00255 1/20 0.39
HCRTR1 O43613 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL21884488 0.88 ERCC1 (0.45) P2RX1TMPRSS4ERCC1ERCC4TUBB
SCHEMBL21884511 0.85 TMPRSS4 (0.44) P2RX1TMPRSS4ERCC1ERCC4AKR1B1
SCHEMBL21884600 0.81 AKR1C3 (0.42) TMPRSS4ERCC1ERCC4AKR1B1
SCHEMBL21884528 0.81 NAMPT (0.47) TMPRSS4ERCC1ERCC4
SCHEMBL21884774 0.79 GSK3B (0.48) ERCC1ERCC4VNN1MEN1KMT2A
SCHEMBL21884527 0.77 TMPRSS4 (0.42) P2RX1TMPRSS4NPC1MEN1KMT2A
SCHEMBL21884388 0.76 TMPRSS4 (0.47) P2RX1TMPRSS4ERCC1ERCC4MEN1
SCHEMBL21884601 0.75 TMPRSS4 (0.44) P2RX1TMPRSS4MEN1KMT2A
SCHEMBL21884386 0.75 TMPRSS4 (0.46) P2RX1TMPRSS4ERCC1ERCC4P2RX7
SCHEMBL21884529 0.75 CDK1 (0.49) P2RX1TMPRSS4

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 P2RX1 3206/4885TMPRSS4 1380/4885ERCC1 1631/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 P2RX1 4811/4885TMPRSS4 3136/4885ERCC1 1909/4885

“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.