SCHEMBL425688

SCHEMBL425688

CC(C)(O)C(C)(C)OB(O)c1cccc(N2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.43
AGXT P21549 1/20 0.41
F10 P00742 1/20 0.41
LMNA P02545 1/20 0.40
FAAH O00519 3/20 0.39
USP30 Q70CQ3 1/20 0.39
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 1/20 0.37
AKR1C3 P42330 1/20 0.37
PRKDC P78527 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
AR P10275 1/20 0.36
PLOD2 O00469 2/20 0.36
PLOD3 O60568 2/20 0.36
PLOD1 Q02809 2/20 0.36
CFTR P13569 1/20 0.36
CCNA2 P20248 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
SCHEMBL18580532 0.88 ALDH1A1 (0.39) AGXTF10FAAHSLC16A3SLC16A1
SCHEMBL1236482 0.85 ALDH1A1 (0.41) LMNAAKR1C3PRKDCPIK3CDPIK3CA
SCHEMBL1368347 0.85 GPER1 (0.35) FAAHUSP30PRKDCPIK3CDPIK3CA
SCHEMBL28377969 0.83 KMO (0.48) KMOAGXTLMNAFAAHUSP30
SCHEMBL12802187 0.80 NCF1 (0.47) SLC16A3SLC16A1MCTS1ALDH1A1SMN1; SMN2
SCHEMBL3756019 0.79 GPR119 (0.53) LMNAUSP30ALDH1A1
Hydrochloric Acid SCHEMBL3328959 0.79 NCF1 (0.46) SLC16A3SLC16A1MCTS1ALDH1A1SMN1; SMN2
SCHEMBL452425 0.78 PIK3CA (0.45) CYP2C19PIK3CDPIK3CA
SCHEMBL21754995 0.78 AGXT (0.47) KMOAGXTF10LMNAFAAH
SCHEMBL875323 0.76 KMO (0.55) KMOAGXTLMNACYP2C19AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113444038-B 2-aryl isonicotinic acid amide LSD1/HDAC double-target inhibitor, and preparation method and application thereof 新乡医学院 2022-09-27 CN disclosed
CN-113444038-A 2-aryl isonicotinic acid amide LSD1/HDAC double-target inhibitor, and preparation method and application thereof 新乡医学院 2021-09-28 CN disclosed
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 EP disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
US-9012651-B2 TRPV3 modulators ABBVIE INC. (US) 2015-04-21 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
EP-2132197-A2 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS Almirall, S.A. (ES) 2009-12-16 EP disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 US disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 WO disclosed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
WO-2008116185-A2 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-09-25 WO disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 KMO 1003/4885AGXT 3199/4885F10 4148/4885
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 KMO 656/4885AGXT 2838/4885F10 4727/4885
US-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A KMO 1087/4885AGXT 3820/4885F10 1512/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 KMO 913/4885AGXT 943/4885F10 1702/4885

“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.