SCHEMBL21884511

SCHEMBL21884511

N#Cc1ccc(CNC(=N)NC(=O)c2cc(C#N)ccc2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 3/20 0.44
EPHX2 P34913 1/20 0.44
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
AKR1B1 P15121 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
KLKB1 P03952 1/20 0.41
KLK1 P06870 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PRMT3 O60678 1/20 0.39
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
P2RX1 P51575 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
NAMPT P43490 1/20 0.37
PPARA Q07869 2/20 0.37

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
SCHEMBL21884600 0.93 AKR1C3 (0.42) TMPRSS4EPHX2ERCC1ERCC4AKR1B1
SCHEMBL21884488 0.93 ERCC1 (0.45) TMPRSS4ERCC1ERCC4MMP2CA1
SCHEMBL21884528 0.91 NAMPT (0.47) TMPRSS4ERCC1ERCC4NAMPTROCK2
SCHEMBL21884774 0.90 GSK3B (0.48) ERCC1ERCC4MMP3KDM1AHDAC1
SCHEMBL21884415 0.85 P2RX1 (0.49) TMPRSS4ERCC1ERCC4AKR1B1P2RX1
SCHEMBL21884388 0.82 TMPRSS4 (0.47) TMPRSS4ERCC1ERCC4KDM1AP2RX1
SCHEMBL21884527 0.82 TMPRSS4 (0.42) TMPRSS4P2RX1
SCHEMBL21884529 0.81 CDK1 (0.49) TMPRSS4KDM1AP2RX1NAMPT
SCHEMBL21884386 0.81 TMPRSS4 (0.46) TMPRSS4ERCC1ERCC4P2RX1NAMPT
SCHEMBL21884601 0.81 TMPRSS4 (0.44) TMPRSS4P2RX1

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 1380/4885EPHX2 4163/4885ERCC1 1631/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 TMPRSS4 3136/4885EPHX2 4152/4885ERCC1 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.