SCHEMBL21884524

SCHEMBL21884524

N#Cc1ccc(-c2c(C#N)ccc(O)c2C(=O)NC(=N)N)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
CASP1 P29466 1/20 0.34
EGLN1 Q9GZT9 2/20 0.33
FLT1 P17948 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAP2 P11137 1/20 0.33
AR P10275 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
DEGS1 O15121 1/20 0.33
HDAC2 Q92769 1/20 0.32
IDO1 P14902 1/20 0.32
CSNK1E P49674 1/20 0.32
ATR Q13535 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
SCHEMBL21884453 0.89 KDM4E (0.34) AR
SCHEMBL21884520 0.89 AR (0.35) MAOBAR
SCHEMBL21884519 0.89 PIK3CA (0.36) TMPRSS4CASP1MAP2AR
SCHEMBL21884597 0.89 ALDH1A1 (0.37) MAOAMAOBAR
SCHEMBL21884588 0.86 CHUK (0.35) AR
SCHEMBL21884452 0.86 XDH (0.41) EGLN1ARCSNK1EATR
SCHEMBL21884672 0.86 AR (0.41) TMPRSS4AR
SCHEMBL21884669 0.86 ALDH1A1 (0.44) AR
SCHEMBL21884447 0.84 CNR2 (0.35) TMPRSS4CASP1AR
SCHEMBL21884575 0.83 CNR2 (0.36) AR

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 MMP3 618/4885MAOA 2348/4885MAOB 2027/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 MMP3 3778/4885MAOA 4473/4885MAOB 4461/4885

“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.