Sugi Predict

Sugi Predict / Compounds / SCHEMBL3209723

SCHEMBL3209723

SCHEMBL3209723

COc1cncc(C(C)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 5/20 0.58
▸ CYP11B2 P19099 5/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ MKNK1 Q9BUB5 2/20 0.50
▸ MKNK2 Q9HBH9 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41

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
SCHEMBL186386 0.84 HCAR2 (0.57) MKNK1MKNK2TDP1LMNAMEN1
SCHEMBL30240892 0.84 HCAR2 (0.57) MKNK1MKNK2TDP1LMNAMEN1
SCHEMBL28065464 0.82 MKNK2 (0.49) CYP11B1CYP11B2CYP1A2CYP3A4MKNK1
SCHEMBL27353302 0.82 CYP11B1 (0.45) CYP11B1CYP11B2CYP1A2CYP3A4MKNK1
SCHEMBL9448469 0.82 MKNK1 (0.66) CYP11B1CYP11B2MKNK1MKNK2TDP1
SCHEMBL1439962 0.82 ATM (0.65) CYP11B1CYP11B2MKNK1MKNK2TDP1
Hydrochloric Acid SCHEMBL5226531 0.82 HCAR2 (0.55) MKNK1MKNK2TDP1LMNAMEN1
SCHEMBL4187225 0.82 MKNK2 (0.49) CYP11B1CYP11B2CYP1A2CYP3A4MKNK1
Hydrochloric Acid SCHEMBL3821290 0.81 MKNK2 (0.47) CYP11B1CYP11B2CYP1A2CYP3A4MKNK1
SCHEMBL26698251 0.81 MKNK1 (0.47) CYP11B1CYP11B2CYP1A2CYP3A4MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023019912-A9 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-06-01 — — WO disclosed
WO-2023019912-A1 BENZOTRIAZINE DIOXIDE AND PHARMACEUTICAL COMPOSITION THEREOF 杭州瑞臻医药有限公司 2023-02-23 — — WO disclosed
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 — — WO disclosed
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 — — EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 — — US disclosed
US-9464087-B2 Difluoromethylation of unsaturated compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-11 — — US disclosed
US-9464087-B2 Difluoromethylation of unsaturated compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-11 — — US disclosed
EP-2785723-B1 DIFLUOROMETHYLATION OF UNSATURATED COMPOUNDS SCRIPPS RESEARCH INST (US) 2016-10-05 — — EP disclosed
US-20100234406-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2010-09-16 — — US disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 — — US disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 — — US disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 — — US disclosed
EP-2079729-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-07-22 — — EP disclosed
WO-2008137794-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2008-11-13 — — WO disclosed
WO-2008058037-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-15 — — WO disclosed
WO-2008058037-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-15 — — WO disclosed
EP-1336612-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2007-01-17 — — EP disclosed
EP-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 — — EP 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-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS PDGFRB, PDGFRA, KIT CYP11B1 3576/4885CYP11B2 3925/4885CYP1A2 4430/4885
US-20100234406-A1 COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS KIT, PDGFRA, PDGFRB CYP11B1 4665/4885CYP11B2 4763/4885CYP1A2 4626/4885

“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.