Sugi Predict

Sugi Predict / Compounds / SCHEMBL5139638

SCHEMBL5139638

SCHEMBL5139638

O=C(O)c1cnn(C2CCCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.43
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.40
▸ CYP4F2 P78329 3/20 0.38
▸ CYP4A11 Q02928 3/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGDS O60760 1/20 0.36
▸ ALKBH2 Q6NS38 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ DDR2 Q16832 1/20 0.35
▸ HCAR3 P49019 1/20 0.35

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
Fluoride SCHEMBL14796503 1.00 ACHE (0.43) ACHERXRARXRBRXRGMCL1
SCHEMBL29218328 0.87 ACHE (0.43) ACHERXRARXRBRXRGMCL1
SCHEMBL6519027 0.87 ACHE (0.46) ACHERXRARXRBRXRGMCL1
SCHEMBL23535740 0.87 MCL1 (0.47) RXRARXRBRXRGMCL1KDM5B
SCHEMBL28769997 0.83 ACHE (0.40) ACHERXRARXRBRXRGMCL1
SCHEMBL30320777 0.83 ACHE (0.52) ACHERXRARXRBRXRGMCL1
SCHEMBL28962279 0.81 RXRA (0.43) RXRARXRBRXRGMCL1CYP4F2
SCHEMBL13035463 0.80 OGA (0.45) ACHERXRARXRBRXRGKDM5B
SCHEMBL28375403 0.80 MCL1 (0.45) RXRARXRBRXRGMCL1KDM5B
SCHEMBL24469879 0.79 ACHE (0.40) ACHERXRARXRBRXRGMCL1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4562015-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 — — EP disclosed
CN-114685490-B Pyrrolopyridine compound and application thereof 南京再明医药有限公司 2025-03-28 — — CN disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
CN-114685490-A Pyrrolopyridine compound and application thereof 江苏先声药业有限公司 2022-07-01 — — CN disclosed
EP-3194367-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR THE TREATMENT OF OBESITY AND DIABETES BOEHRINGER INGELHEIM INT (DE) 2021-08-18 — — EP disclosed
EP-2986604-B1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
EP-2760841-B1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-24 — — EP disclosed
US-9340510-B2 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 — — US disclosed
US-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 — — US disclosed
EP-2986604-A1 PYRIMIDINE-SUBSTITUTED PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2016-02-24 — — EP disclosed
EP-2760841-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-06 — — EP disclosed
WO-2014056771-A1 NEW PYRROLIDINE DERIVATIVES AND THEIR USE AS ACETYL-COA CARBOXYLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-17 — — WO disclosed
WO-2013045400-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-04-04 — — WO disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 — — US disclosed
EP-2573073-A1 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-03-27 — — EP disclosed
US-20080114016-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-05-15 — — US disclosed
EP-1835918-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2007-09-26 — — EP disclosed
WO-2006074281-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-07-13 — — WO disclosed
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 — — US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 — — 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 (4 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 ACHE 4600/4885RXRA 4806/4885RXRB 4680/4885
US-20160075657-A1 Tetrahydroisoquinoline derivatives, pharmaceutical compositions and uses thereof QDPR, RECQL, TPMT ACHE 1187/4885RXRA 2868/4885RXRB 3051/4885
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 ACHE 1095/4885RXRA 1910/4885RXRB 1943/4885
US-20080114016-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, BUB1B ACHE 3315/4885RXRA 4158/4885RXRB 3889/4885

“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.