SCHEMBL489524

SCHEMBL489524

CCOC(=O)c1ncccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.52
BRD4 O60885 1/20 0.50
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 3/20 0.49
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
CASP1 P29466 1/20 0.47
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44

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
Bromide SCHEMBL28533203 0.98 TSHR (0.50) TSHRCYP1A2BRD4KDM4EALDH1A1
SCHEMBL719806 0.83 ALDH1A1 (0.55) TSHRKDM4EALDH1A1LMNANPC1
SCHEMBL4921789 0.81 CYP1A2 (0.46) TSHRCYP1A2KDM4EALDH1A1CA12
SCHEMBL12457581 0.81 CYP1A2 (0.46) TSHRCYP1A2KDM4EALDH1A1HPGD
SCHEMBL30555050 0.80 CYP1A2 (0.42) TSHRCYP1A2BRD4KDM4EALDH1A1
SCHEMBL16651751 0.80 CYP1A2 (0.42) TSHRCYP1A2BRD4KDM4EALDH1A1
SCHEMBL28891861 0.80 TSHR (0.58) TSHRCYP1A2KDM4EALDH1A1HSD17B10
Cytosine SCHEMBL29277994 0.80 CDC7 (0.45) TSHRCYP1A2BRD4KDM4EALDH1A1
SCHEMBL12523424 0.79 CYP1A2 (0.44) TSHRCYP1A2KDM4EALDH1A1CA12
SCHEMBL12396913 0.79 CYP1A2 (0.49) TSHRCYP1A2KDM4EALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033204-A The pyrimidine of 5 modifications and their purposes 私募蛋白质体公司 2017-08-11 CN claimed
CN-102985435-A 5-position modified pyrimidines and their use SOMALOGIC INC 2013-03-20 CN claimed
EP-4326274-B1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-01-14 EP disclosed
CN-115209952-B Substituted pyrazolopyrimidines and use thereof 维基分析有限公司 2025-05-30 CN disclosed
US-20240208994-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN disclosed
CN-117756848-A TH-302 derivative and preparation method thereof 常州大学 2024-03-26 CN disclosed
CN-115003303-B PRMT5 inhibitors 默沙东公司 2024-03-08 CN disclosed
EP-4326274-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2024-02-28 EP disclosed
CN-117396469-A Inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed
EP-1398384-A1 Enhanced production of taxanes by cell cultures of taxus species Phyton Inc. (US) 2004-03-17 EP disclosed
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US disclosed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed
EP-0927169-A1 4-CYCLOALKYL-5-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS CROP PROTECTION AGENTS ZENECA LIMITED (GB) 1999-07-07 EP disclosed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP disclosed
WO-1998011074-A1 4-CYCLOALKYL-5-SUBSTITUTED PYRIMIDINE COMPOUNDS USEFUL AS CROP PROTECTION AGENTS ZENECA LIMITED (GB) 1998-03-19 WO disclosed
US-5707930-A HERBICIDES, AGRICULTURE ZENECA LIMITED (GB) 1998-01-13 US disclosed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO disclosed
EP-0018139-A2 Pyrido (2,3-d) pyrimidine derivatives, pharmaceutical compositions containing them and processes for preparing the pyrido (2,3-d) pyrimidine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1980-10-29 EP 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 (1 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-20240208994-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, SERPINB1 TSHR 3639/4885CYP1A2 2976/4885BRD4 4028/4885

“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.