Sugi Predict

Sugi Predict / Compounds / SCHEMBL376524

SCHEMBL376524

SCHEMBL376524

CC(C)(C)OC(=O)N1C[C@@H](OC2CCCCO2)C[C@H]1C=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ OPRK1 P41145 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CCR2 P41597 1/20 0.31
▸ UCHL1 P09936 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
SCHEMBL376282 0.85 CHRM2 (0.34) ATMALDH1A1MEN1MAPTKMT2A
SCHEMBL4282805 0.85 MEN1 (0.33) MEN1KMT2A
SCHEMBL3237030 0.85 MEN1 (0.33) MEN1KMT2A
SCHEMBL19942887 0.85 NR1H2 (0.38) ATMALDH1A1MEN1MAPTKMT2A
SCHEMBL15273386 0.85 NR1H2 (0.38) ATMALDH1A1MEN1MAPTKMT2A
SCHEMBL28495607 0.85 NR1H2 (0.38) ATMALDH1A1MEN1MAPTKMT2A
SCHEMBL13577617 0.85 NR1H2 (0.38) ATMALDH1A1MEN1MAPTKMT2A
SCHEMBL30181011 0.85 NR1H2 (0.38) ATMALDH1A1MEN1MAPTKMT2A
SCHEMBL376323 0.85 NR1H2 (0.38) ATMALDH1A1MEN1MAPTKMT2A
SCHEMBL19942977 0.84 ATM (0.34) ATMALDH1A1MEN1MAPTKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 — — EP disclosed
EP-2328890-B1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER (US) 2012-01-25 — — EP disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 — — US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 — — US disclosed
US-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC (US) 2011-06-16 — — US disclosed
EP-2328890-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS Pfizer Inc. (US) 2011-06-08 — — EP disclosed
WO-2010016005-A1 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS PFIZER INC. (US) 2010-02-11 — — 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 (1 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-20110144084-A1 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS CHKA, CSNK1A1, CHKB ATM 1181/4885ALDH1A1 2651/4885MEN1 1718/4885

“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.