SCHEMBL2643818

SCHEMBL2643818

COc1cccc(-c2cnc(N)cn2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
DYRK1A Q13627 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MAP4K4 O95819 2/20 0.50
TDO2 P48775 1/20 0.50
ADORA2A P29274 2/20 0.49
ADORA1 P30542 1/20 0.49
ALOX5AP P20292 1/20 0.49
FEN1 P39748 1/20 0.49
PRKDC P78527 1/20 0.48
ATR Q13535 1/20 0.48
KIT P10721 1/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.48
FYN P06241 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP19A1 P11511 1/20 0.46

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
SCHEMBL6819778 0.92 HSD17B1 (0.59) KDM1ADYRK1ACLK4MAP4K4TDO2
SCHEMBL13458067 0.90 DYRK1A (0.61) KDM1ADYRK1ACLK4MAP4K4TDO2
SCHEMBL11523724 0.84 NOTUM (0.52) MAP4K4ALOX5APKDM4EFYNCYP3A4
SCHEMBL1336893 0.81 KDM1A (0.64) KDM1ADYRK1ACLK4MAP4K4TDO2
SCHEMBL21751291 0.80 ALOX5AP (0.49) KDM1AMAP4K4ALOX5APFEN1ATR
SCHEMBL30800173 0.80 ALOX5AP (0.49) KDM1AMAP4K4ALOX5APFEN1ATR
SCHEMBL168656 0.80 NPC1 (0.53) DYRK1ATDO2ALOX5APFEN1KMT2A
SCHEMBL20548405 0.79 KDM1A (0.63) KDM1ADYRK1ACLK4MAP4K4TDO2
SCHEMBL12486978 0.79 MAP4K4 (0.62) DYRK1ACLK4MAP4K4TDO2ADORA2A
SCHEMBL16826157 0.78 KDM1A (0.50) KDM1AMAP4K4ADORA1ALOX5APFEN1

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
EP-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
US-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 US disclosed
EP-1572670-A1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-14 EP disclosed
US-6803372-B2 SUCH AS CIS-N-(4-BENZOYLPHENYL)-4-HYDROXY-3'-OXOSPIRO (CYCLOHEXANE-1,1' (3'H)-ISOBENZOFURAN)-4-CARBOXAMIDE FOR USE AS NEUROPEPTIDE Y RECEPTOR ANTAGONIST FOR TREATMENT BULIMIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-10-12 US disclosed
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US disclosed
WO-2004052869-A1 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-24 WO disclosed
US-6723847-B2 3-OXO-N-(5-PHENYL-2-PYRIMIDINYL)SPIRO(4-AZAISOBENZOFURAN-1 (3H),1'-CYCLOHEXANE)-4'-CARBOXAMIDE; NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-04-20 US disclosed
US-20030220499-A1 Novel spiro compounds MSD K.K. (JP) 2003-11-27 US disclosed
US-6649624-B2 Useful as neuropeptide Y receptor antagonists and as agents for therapy of cardiovascular disorders, central nervous system disorders, metabolic diseases BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-11-18 US disclosed
EP-1204663-B1 NOVEL SPIRO COMPOUNDS WITH NEUROPEPTIDE Y ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-20030055251-A1 Novel spiro compounds MSD K.K. (JP) 2003-03-20 US disclosed
US-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes MSD K.K. (JP) 2002-12-12 US disclosed
US-20020165391-A1 Neuropeptide Y receptor antagonists MSD K.K. (JP) 2002-11-07 US disclosed
US-6462053-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; CARDIOVASCULAR AND CENTRAL NERVOUS SYSTEM DISORDERS AND METABOLIC DISEASES; HYPERTENSION, NEPHROPATHY, HEART DISEASE, VASOSPASM, ARTERIOSCLEROSIS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-10-08 US disclosed
EP-1204663-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
US-6388077-B1 CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 US disclosed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 US disclosed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US disclosed
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 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 (6 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-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes NPY1R, GPR119, NPY2R KDM1A 2449/4885DYRK1A 1618/4885CLK4 3056/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 KDM1A 2926/4885DYRK1A 1833/4885CLK4 2719/4885
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 KDM1A 2594/4885DYRK1A 916/4885CLK4 209/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 KDM1A 2625/4885DYRK1A 1885/4885CLK4 2743/4885
US-20030220499-A1 Novel spiro compounds NPY1R, OPRK1, OPRM1 KDM1A 2980/4885DYRK1A 1829/4885CLK4 2749/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R KDM1A 2215/4885DYRK1A 1404/4885CLK4 3418/4885

“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.