Sugi Predict

Sugi Predict / Compounds / SCHEMBL183285

SCHEMBL183285

SCHEMBL183285

CCOC(=O)c1cccn2ccnc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.53
▸ KDM4E B2RXH2 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 3/20 0.46
▸ TBXAS1 P24557 1/20 0.46
▸ ELANE P08246 3/20 0.45
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ BRD4 O60885 1/20 0.42

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
SCHEMBL31211859 0.88 HPGD (0.53) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1878367 0.83 KDM4E (0.49) TSHRKDM4EALDH1A1HSD17B10HTT
SCHEMBL2363851 0.82 CYP3A4 (0.56) TSHRALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL21331457 0.79 ALDH1A1 (0.49) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31578252 0.79 HTR2A (0.38) TSHRALDH1A1
SCHEMBL31578196 0.79 HTR2A (0.38) ALDH1A1
SCHEMBL2315700 0.78 TSHR (0.51) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL8313115 0.78 HTR2A (0.43) KDM4EALDH1A1MEN1KMT2A
SCHEMBL9090050 0.77 KDM4E (0.58) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3799874 0.77 BRD4 (0.48) KDM4EALDH1A1HPGDELANESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 — — US disclosed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 — — US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 — — US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 — — US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 — — US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 — — US disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 — — WO disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 — — WO disclosed
EP-2401274-B1 IMIDAZO[1,2-A]PYRIDINES AS JNK MODULATORS HOFFMANN LA ROCHE (CH) 2014-10-22 — — EP disclosed
US-8754101-B2 N-cyclobutyl-imidazopyridine-methylamine as TRPV1 antagonists GLAXO GROUP LIMITED (GB) 2014-06-17 — — US disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 — — US disclosed
EP-1651640-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 — — EP disclosed
EP-1651641-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 — — EP disclosed
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 — — US disclosed
WO-2005009994-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 — — WO disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 — — WO disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 — — US disclosed
US-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 — — US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 — — US 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-20050020611-A1 Compounds NQO1, NAMPT, NNT TSHR 1905/4885KDM4E 3109/4885ALDH1A1 212/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 TSHR 4703/4885KDM4E 1301/4885ALDH1A1 144/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 TSHR 4144/4885KDM4E 821/4885ALDH1A1 89/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 TSHR 4703/4885KDM4E 1301/4885ALDH1A1 144/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C TSHR 2842/4885KDM4E 1010/4885ALDH1A1 356/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT TSHR 1905/4885KDM4E 3109/4885ALDH1A1 212/4885

“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.