Sugi Predict

Sugi Predict / Compounds / SCHEMBL386442

SCHEMBL386442

SCHEMBL386442

CC(C)(C)OC(=O)N1CCN(c2noc(CO)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ EPHB4 P54760 1/20 0.46
▸ ACHE P22303 2/20 0.45
▸ GPR119 Q8TDV5 8/20 0.45
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ PTPN11 Q06124 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
SCHEMBL391002 0.89 EPHA2 (0.47) EPHA2KDREPHB4ACHEGPR119
SCHEMBL390557 0.89 EPHA2 (0.47) EPHA2KDREPHB4ACHEGPR119
SCHEMBL18282510 0.88 EPHA2 (0.51) EPHA2KDREPHB4ACHEGPR119
SCHEMBL907019 0.85 EPHA2 (0.47) EPHA2KDREPHB4ACHEGPR119
SCHEMBL14991092 0.83 GPR119 (0.47) ACHEGPR119USP2SMN1; SMN2PIK3CA
SCHEMBL388598 0.82 HDAC4 (0.48) ACHEGPR119USP2SMN1; SMN2PIK3CA
SCHEMBL28552685 0.80 HDAC4 (0.60) ACHEGPR119USP2SMN1; SMN2PIK3CA
SCHEMBL16197362 0.80 GPR119 (0.46) ACHEGPR119USP2SMN1; SMN2PIK3CA
SCHEMBL10297496 0.79 GPR119 (0.55) ACHEGPR119USP2SMN1; SMN2PIK3CA
SCHEMBL3488976 0.78 GPR119 (0.48) GPR119USP2SMN1; SMN2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 — — US claimed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 — — EP claimed
CN-107709316-B 2- (1-heteroarylpiperazin-4-yl) methyl-1, 4-benzodioxane derivatives as alpha 2C antagonists 奥赖恩公司 2021-08-17 — — CN disclosed
US-10266518-B2 Solid dosage formulations of substituted quinazoline receptor-type kinase modulators and methods of use thereof SYMPHONY EVOLUTION, INC. (US) 2019-04-23 — — US disclosed
EP-1521747-B1 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE SYMPHONY EVOLUTION INC (US) 2018-09-05 — — EP disclosed
US-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2018-05-03 — — US disclosed
US-9796704-B2 Substituted quinazolines as receptor-type kinase inhibitors SYMPHONY EVOLUTION, INC. (US) 2017-10-24 — — US disclosed
US-9359332-B2 Processes for the preparation of substituted quinazolines SYMPHONY EVOLUTION, INC. (US) 2016-06-07 — — US disclosed
US-20160129032-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2016-05-12 — — US disclosed
US-9163006-B2 — — 2015-10-20 — — US disclosed
US-20140155418-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2014-06-05 — — US disclosed
EP-2277867-A2 Compounds, pharmaceutical compositions thereof and their use in treating cancer Symphony Evolution, Inc. (US) 2011-01-26 — — EP disclosed
US-20090318373-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-12-24 — — US disclosed
US-7576074-B2 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2009-08-18 — — US disclosed
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 — — US disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 — — EP disclosed
EP-1521747-A4 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2006-10-11 — — EP disclosed
US-20060069077-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2006-03-30 — — US disclosed
EP-1521747-A2 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2005-04-13 — — EP disclosed
WO-2004006846-A2 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-01-22 — — 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 (7 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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C EPHA2 4077/4885KDR 2104/4885EPHB4 4012/4885
US-20060069077-A1 Receptor-type kinase modulators and methods of use EGFR, EPHA2, ERBB4 EPHA2 2/4885KDR 17/4885EPHB4 16/4885
US-10266518-B2 Solid dosage formulations of substituted quinazoline receptor-type kinase modulators and methods of use thereof EGFR, ERBB4, ERBB3 EPHA2 4/4885KDR 16/4885EPHB4 17/4885
US-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 EPHA2 2/4885KDR 17/4885EPHB4 16/4885
US-20090318373-A1 Receptor-type kinase modulators and methods of use EGFR, EPHA2, ERBB4 EPHA2 2/4885KDR 17/4885EPHB4 16/4885
US-20160129032-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 EPHA2 2/4885KDR 17/4885EPHB4 16/4885
US-20140155418-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 EPHA2 2/4885KDR 17/4885EPHB4 16/4885

“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.