SCHEMBL21884528

SCHEMBL21884528

N#Cc1ccc(O)c(C(=O)NC(=N)NCc2ccncc2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.47
GSK3B P49841 2/20 0.44
SCN9A Q15858 1/20 0.43
TMPRSS4 Q9NRS4 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 1/20 0.39
GAA P10253 2/20 0.39
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL21884511 0.91 TMPRSS4 (0.44) NAMPTTMPRSS4ROCK2ERCC1ERCC4
SCHEMBL21884488 0.88 ERCC1 (0.45) GSK3BTMPRSS4SMN1; SMN2ERCC1ERCC4
SCHEMBL21884600 0.86 AKR1C3 (0.42) TMPRSS4SMN1; SMN2ERCC1ERCC4ALDH1A1
SCHEMBL21884774 0.84 GSK3B (0.48) GSK3BSMN1; SMN2ERCC1ERCC4ALDH1A1
SCHEMBL21884415 0.81 P2RX1 (0.49) TMPRSS4ERCC1ERCC4
SCHEMBL21884525 0.81 NAMPT (0.47) NAMPTTMPRSS4
SCHEMBL21884388 0.79 TMPRSS4 (0.47) TMPRSS4ERCC1ERCC4
SCHEMBL21884386 0.78 TMPRSS4 (0.46) NAMPTTMPRSS4ERCC1ERCC4ALDH1A1
SCHEMBL21884601 0.78 TMPRSS4 (0.44) TMPRSS4GAAALDH1A1HSD17B10
SCHEMBL21884529 0.78 CDK1 (0.49) NAMPTTMPRSS4ALDH1A1

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 398/4885GSK3B 3527/4885SCN9A 1777/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 NAMPT 2275/4885GSK3B 3700/4885SCN9A 2850/4885

“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.