Sugi Predict

Sugi Predict / Compounds / SCHEMBL21884460

SCHEMBL21884460

SCHEMBL21884460

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1-c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BIRC5 O15392 2/20 0.40
▸ PPIA P62937 1/20 0.38
▸ IL2 P60568 2/20 0.37
▸ TMPRSS4 Q9NRS4 5/20 0.37
▸ CHRNA7 P36544 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ P2RX1 P51575 2/20 0.35
▸ P2RX4 Q99571 2/20 0.35
▸ P2RX7 Q99572 2/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ AR P10275 1/20 0.34
▸ CSNK2A1 P68400 1/20 0.34
▸ AGPAT2 O15120 1/20 0.34
▸ CTSS P25774 1/20 0.33

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
SCHEMBL21884362 0.92 MRGPRX4 (0.38) BIRC5PPIATMPRSS4CHRNA7MRGPRX4
SCHEMBL21884361 0.89 PPIA (0.39) BIRC5PPIATMPRSS4CYP3A4CYP2C19
SCHEMBL21885702 0.87 PPIA (0.35) PPIATMPRSS4SMN1; SMN2P2RX1P2RX7
SCHEMBL21884530 0.86 TMPRSS4 (0.40) BIRC5PPIATMPRSS4ALDH1A1P2RX1
SCHEMBL21884399 0.85 GAA (0.35) PPIAALDH1A1HTTSMN1; SMN2AGPAT2
SCHEMBL21884672 0.83 AR (0.41) PPIATMPRSS4P2RX1TAS2R14AR
SCHEMBL21884664 0.82 F2 (0.37) ALDH1A1CYP3A4CYP2C19HTT
SCHEMBL21884434 0.82 L3MBTL1 (0.38) PPIAALDH1A1HTTSMN1; SMN2AR
SCHEMBL21884590 0.82 AR (0.46) PPIAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL21884417 0.81 PPIA (0.35) PPIAP2RX1AR

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 BIRC5 4812/4885PPIA 1961/4885IL2 4664/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 BIRC5 1240/4885PPIA 2399/4885IL2 4532/4885

“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.