SCHEMBL181049

SCHEMBL181049

CCOC(=O)c1cccnc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
HSD17B10 Q99714 2/20 0.60
TSHR P16473 2/20 0.59
NAPRT Q6XQN6 1/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.55
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TP53 P04637 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CHEK2 O96017 1/20 0.49
BRD4 O60885 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL2595579 0.84 ALDH1A1 (0.64) ALDH1A1HSD17B10TSHRNAPRTKDM4E
SCHEMBL13460683 0.84 NAPRT (0.53) ALDH1A1HSD17B10TSHRNAPRTKDM4E
SCHEMBL30811268 0.83 NAPRT (0.54) ALDH1A1HSD17B10TSHRNAPRTKDM4E
SCHEMBL29571304 0.83 TSHR (0.63) ALDH1A1HSD17B10TSHRHTTNPC1
SCHEMBL109206 0.83 TSHR (0.63) ALDH1A1HSD17B10TSHRHTTNPC1
SCHEMBL13035501 0.82 L3MBTL1 (0.56) ALDH1A1TSHRNAPRTKDM4EHTT
SCHEMBL12441324 0.81 NAPRT (0.50) ALDH1A1HSD17B10NAPRTKDM4EHTT
SCHEMBL1737254 0.81 BRD4 (0.61) ALDH1A1HSD17B10TSHRHTTNPC1
SCHEMBL29870373 0.81 BRD4 (0.61) ALDH1A1HSD17B10TSHRHTTNPC1
SCHEMBL162019 0.81 TSHR (0.61) ALDH1A1HSD17B10TSHRKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239765-A1 GLYCINE N-METHYLTRANSFERASE SPECIFIC ENHANCER AND PREPARATION METHOD AND USES THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2024-07-18 US claimed
CN-118144374-A Metal composite waterproof board and preparation method thereof 河北宇阳泽丽防水材料有限公司 2024-06-07 CN claimed
CN-114981258-B Glycine N-methyltransferase enhancer, preparation method and application thereof 高雄医学大学 2024-04-19 CN claimed
EP-4269401-A1 GLYCINE N-METHYLTRANSFERASE ENHANCER, PREPARATION METHOD THEREFOR AND USE THEREOF Kaohsiung Medical University (TW) 2023-11-01 EP claimed
CN-112939970-A Pyridopyrimidinone derivative, preparation method thereof and application thereof in antitumor drugs 林剑雄 2021-06-11 CN claimed
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-14 US disclosed
CN-116120313-B Pyridoimidazole nitrogen fused ring compound and preparation method and application thereof 遵义医科大学 2025-02-11 CN disclosed
CN-115697993-B Pyrimidine compounds as AXL inhibitors 南京正大天晴制药有限公司 2024-12-10 CN disclosed
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 US disclosed
US-20240294524-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-09-05 US disclosed
US-20240239765-A1 GLYCINE N-METHYLTRANSFERASE SPECIFIC ENHANCER AND PREPARATION METHOD AND USES THEREOF KAOHSIUNG MEDICAL UNIVERSITY (TW) 2024-07-18 US disclosed
CN-118144374-A Metal composite waterproof board and preparation method thereof 河北宇阳泽丽防水材料有限公司 2024-06-07 CN disclosed
CN-1095374-A Biphenyl derivatives, their preparation and they are in the application for the treatment of hypertension and cardiac disease SANKYO CO (JP) 1994-11-23 CN disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US disclosed
EP-0316668-B1 USE OF A TETRAHYDRO-PYRIDO(2,3-D)PYRIMIDINE FOR OBTAINING AN ANALGETIC AGENT MERCK PATENT GmbH (DE) 1993-05-19 EP disclosed
EP-0404190-A1 Condensed heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-12-27 EP disclosed
EP-0316668-A2 Use of a tetrahydro-pyrido(2,3-d)pyrimidine for obtaining an analgetic agent MERCK PATENT GmbH (DE) 1989-05-24 EP disclosed
EP-0227431-A1 Heterocyclic amides BEECHAM GROUP PLC (GB) 1987-07-01 EP disclosed
US-4447256-A POSTEMERGENCE HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1984-05-08 US disclosed
US-4220771-A MORPHINE POTENTIATORS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1980-09-02 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 (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-20240294524-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 ALDH1A1 2362/4885HSD17B10 530/4885TSHR 3323/4885
US-12441724-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 ALDH1A1 3157/4885HSD17B10 1520/4885TSHR 4177/4885
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 3175/4885HSD17B10 1036/4885TSHR 3852/4885
US-20240239765-A1 GLYCINE N-METHYLTRANSFERASE SPECIFIC ENHANCER AND PREPARATION METHOD AND USES THEREOF GNMT, NNMT, HNMT ALDH1A1 1877/4885HSD17B10 1960/4885TSHR 3533/4885

“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.