SCHEMBL385247

SCHEMBL385247

COC(=O)c1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
TSHR P16473 2/20 0.62
TP53 P04637 1/20 0.62
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
EPHX2 P34913 2/20 0.55
MRGPRX4 Q96LA9 1/20 0.55
HTT P42858 1/20 0.54
PPARG P37231 1/20 0.54
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54

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
SCHEMBL27934406 0.94 EPHX2 (0.62) KDM4ETSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL22887473 0.90 KEAP1 (0.58) KDM4ETSHRTP53CYP2C9CYP2C19
SCHEMBL2226421 0.89 NPSR1 (0.66) KDM4EALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL1417060 0.88 L3MBTL1 (0.66) KDM4ETSHRTP53L3MBTL1ALDH1A1
SCHEMBL15459823 0.88 ALDH1A1 (0.67) KDM4ETSHRTP53CYP2C9CYP2C19
SCHEMBL8190316 0.87 SMN1; SMN2 (0.61) KDM4ETSHRTP53ALDH1A1SMN1; SMN2
SCHEMBL4698008 0.86 KDM4E (0.70) KDM4ETSHRTP53ALDH1A1SMN1; SMN2
SCHEMBL1300389 0.86 KDR (0.55) KDM4ETSHRTP53CYP2C9CYP2C19
SCHEMBL4376838 0.85 KDM4E (0.68) KDM4ETSHRTP53CYP2C9CYP2C19
SCHEMBL10480077 0.85 KDM4E (0.65) KDM4ETSHRTP53CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996932-A New macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2023-04-21 CN disclosed
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 EP disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
EP-1926737-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031428-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 US disclosed
US-6979693-B2 Pyrazole derivatives-p38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-12-27 US disclosed
EP-1075467-B1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2003-01-23 US disclosed
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-10-24 US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-08-01 US disclosed
EP-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 EP disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 WO disclosed
EP-1075467-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-02-14 EP disclosed
WO-1999057101-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-11 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 (5 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-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 KDM4E 4214/4885TSHR 4347/4885TP53 992/4885
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors MAPK1, MAPK8, MAPKAPK2 KDM4E 4148/4885TSHR 4077/4885TP53 995/4885
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BRAF, RAF1, MAP3K7 KDM4E 1556/4885TSHR 2559/4885TP53 212/4885
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 KDM4E 4214/4885TSHR 4347/4885TP53 992/4885
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 KDM4E 1821/4885TSHR 1610/4885TP53 1272/4885

“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.