SCHEMBL21884360

SCHEMBL21884360

N#Cc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC(=N)N)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PPIA P62937 4/20 0.33
DGAT1 O75907 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
P2RX1 P51575 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
PRKCQ Q04759 1/20 0.32
MAP4K1 Q92918 1/20 0.32
PDK2 Q15119 1/20 0.31
AR P10275 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL21884572 0.92 TAS1R3 (0.33) MEN1KMT2APPIAP2RX1SMN1; SMN2
SCHEMBL21884443 0.90 PPIA (0.38) MEN1KMT2APPIAP2RX1AR
SCHEMBL21884631 0.88 ESR2 (0.36) MEN1KMT2APPIASMN1; SMN2GAA
SCHEMBL21884355 0.87 AR (0.41) PPIAPDK2AR
SCHEMBL21884659 0.87 PGR (0.38) MEN1KMT2AARKDM4EL3MBTL1
SCHEMBL21884434 0.87 L3MBTL1 (0.38) MEN1KMT2APPIASMN1; SMN2GAA
SCHEMBL21884464 0.87 PPIA (0.32) PPIACXCR1CXCR2P2RX1PRKCQ
SCHEMBL21884394 0.86 MAPT (0.34) MEN1KMT2APPIASMN1; SMN2GAA
SCHEMBL21884438 0.86 PPIA (0.33) MEN1KMT2APPIAP2RX1SMN1; SMN2
SCHEMBL21884598 0.84 CXCR1 (0.35) CXCR1CXCR2P2RX1SMN1; SMN2GAA

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 MEN1 3141/4885KMT2A 1645/4885PPIA 1961/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 MEN1 2652/4885KMT2A 3637/4885PPIA 2399/4885

“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.