Sugi Predict

Sugi Predict / Compounds / SCHEMBL21884631

SCHEMBL21884631

SCHEMBL21884631

N#Cc1ccccc1-c1c(C#N)ccc(O)c1C(=O)NC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.36
▸ PRKDC P78527 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ATR Q13535 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PPIA P62937 4/20 0.35
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ PGR P06401 2/20 0.33
▸ AR P10275 2/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ CHUK O15111 1/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ WEE1 P30291 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
SCHEMBL21884434 0.89 L3MBTL1 (0.38) MEN1KMT2APPIAGAASMN1; SMN2
SCHEMBL21884627 0.89 PPIA (0.33) MEN1KMT2APPIAGAAPGR
SCHEMBL21884788 0.89 PPIA (0.40) MEN1KMT2APPIAPGRAR
SCHEMBL21884360 0.88 MEN1 (0.33) MEN1KMT2APPIAGAASMN1; SMN2
SCHEMBL21884591 0.86 PGR (0.44) ATMMEN1KMT2AGAASMN1; SMN2
SCHEMBL21884635 0.86 AR (0.44) ATRKMT2APPIASMN1; SMN2PGR
SCHEMBL21884597 0.86 ALDH1A1 (0.37) MEN1KMT2APPIAGAASMN1; SMN2
SCHEMBL23854887 0.85 PKMYT1 (0.35) ATMMEN1KMT2APPIAPGR
SCHEMBL23854877 0.85 PPIA (0.39) MEN1KMT2APPIAPGRAR
SCHEMBL21884572 0.85 TAS1R3 (0.33) MEN1KMT2APPIASMN1; SMN2

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 ESR2 3315/4885PRKDC 1783/4885ATM 2012/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 ESR2 3308/4885PRKDC 1224/4885ATM 1815/4885

“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.