SCHEMBL29749175

SCHEMBL29749175

NCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGMT P16455 9/20 0.81
PIN1 Q13526 9/20 0.78
CDK1 P06493 9/20 0.78
CCNB1 P14635 9/20 0.78
CCNA2 P20248 9/20 0.78
CDK2 P24941 9/20 0.78
CCNA1 P78396 9/20 0.78
LMNA P02545 1/20 0.78
CYP1A2 P05177 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
CYP2C9 P11712 1/20 0.78
TSHR P16473 1/20 0.78
NFKB1 P19838 1/20 0.78
CYP2C19 P33261 1/20 0.78
BLM P54132 1/20 0.78
PMP22 Q01453 1/20 0.78

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
SCHEMBL23124359 1.00 MGMT (0.81) MGMTPIN1CDK1CCNB1CCNA2
SCHEMBL3338895 0.88 PIN1 (0.76) MGMTPIN1CDK1CCNB1CCNA2
SCHEMBL3302852 0.88 PIN1 (0.76) MGMTPIN1CDK1CCNB1CCNA2
SCHEMBL3297931 0.88 PIN1 (1.00) MGMTPIN1CDK1CCNB1CCNA2
SCHEMBL3302326 0.88 PIN1 (1.00) MGMTPIN1CDK1CCNB1CCNA2
6-O-Benzylguanine SCHEMBL61740 0.87 PIN1 (1.00) MGMTPIN1CDK1CCNB1CCNA2
6-O-Benzylguanine SCHEMBL31517079 0.87 PIN1 (1.00) MGMTPIN1CDK1CCNB1CCNA2
6-O-Benzylguanine SCHEMBL4631744 0.86 PIN1 (0.97) MGMTPIN1CDK1CCNB1CCNA2
SCHEMBL3305085 0.84 PIN1 (0.75) MGMTPIN1CDK1CCNB1CCNA2
SCHEMBL3305088 0.83 PIN1 (0.73) MGMTPIN1CDK1CCNB1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146223-A SNAP-tag probe and preparation and application thereof 中国科学院大连化学物理研究所 2024-06-07 CN claimed
CN-119771379-A 5-HTR2A cell membrane chromatographic solid phase microextraction material, preparation method thereof and application thereof in atypical antipsychotic TDM 西安交通大学 2025-04-08 CN disclosed
CN-119771380-A Intracellular protein cell membrane stationary phase and chromatographic column based on SNAP-tag technology, preparation method thereof and application thereof in blood concentration monitoring 西安交通大学 2025-04-08 CN disclosed
CN-118930573-A Fluorescent dye sensitive to micro-environment viscosity and preparation method and application thereof 上海交通大学 2024-11-12 CN disclosed
US-20240366799-A1 CAGING-GROUP-FREE PHOTOACTIVATABLE FLUORESCENT DYES AND THEIR USE MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E. V. (DE) 2024-11-07 US disclosed
CN-118339156-A 2-Diazo-3-oxo-2, 3-dihydrospiro [ indene-1, 9' -xanthene ] derivatives and similar compounds as photoactive fluorescent compounds for protein labelling 爱康治疗公司 2024-07-12 CN disclosed
CN-118146223-A SNAP-tag probe and preparation and application thereof 中国科学院大连化学物理研究所 2024-06-07 CN disclosed
EP-4374157-A2 FRET-BASED ASSAYS The General Hospital Corporation (US) 2024-05-29 EP disclosed
WO-2023004438-A2 FRET-BASED ASSAYS THE GENERAL HOSPITAL CORPORATION (US) 2023-01-26 WO disclosed
EP-4031550-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS The University of Chicago (US) 2022-07-27 EP disclosed
CN-114728970-A Optical proximity analysis of protein-protein interactions in cells 芝加哥大学 2022-07-08 CN 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-20240366799-A1 CAGING-GROUP-FREE PHOTOACTIVATABLE FLUORESCENT DYES AND THEIR USE GNE, ALG1, PCNA MGMT 1615/4885PIN1 1315/4885CDK1 393/4885

“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.