SCHEMBL333055

SCHEMBL333055

Cn1nccc1-c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
COMT P21964 1/20 0.46
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
DRD1 P21728 1/20 0.43
SLC13A5 Q86YT5 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41

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
SCHEMBL3447723 0.81 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL332440 0.79 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL16826278 0.79 CYP3A4 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL19356930 0.79 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL14938176 0.79 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL3489735 0.79 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL14938282 0.79 PORCN (0.55) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL17369090 0.79 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL21258381 0.79 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL4133270 0.78 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed
CN-119371412-A CYP11B2 inhibitor compound, pharmaceutical composition and application thereof 长春金赛药业有限责任公司 2025-01-28 CN disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
WO-2023244788-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2023-12-21 WO disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
WO-2008065493-A1 PYRAZOLE ANALOGS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed
WO-2008065493-A1 PYRAZOLE ANALOGS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed
US-20080125474-A1 Pyrazole Analogs PFIZER INC. 2008-05-29 US disclosed
US-20080125474-A1 Pyrazole Analogs PFIZER INC. 2008-05-29 US disclosed
US-20080125474-A1 Pyrazole Analogs PFIZER INC. 2008-05-29 US disclosed
CN-1582287-A Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-16 CN disclosed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US disclosed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO disclosed
WO-1994015920-A1 BENZANILIDE DERIVATIVES AS 5-HT1D-ANTAGONISTS GLAXO GROUP LIMITED (GB) 1994-07-21 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 (5 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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 CYP1A2 1151/4885CYP3A4 1806/4885CYP2D6 1700/4885
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH CYP1A2 3484/4885CYP3A4 4562/4885CYP2D6 4316/4885
US-20080125474-A1 Pyrazole Analogs IL33, CFTR, HRH1 CYP1A2 39/4885CYP3A4 28/4885CYP2D6 36/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH CYP1A2 3484/4885CYP3A4 4562/4885CYP2D6 4316/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 CYP1A2 3726/4885CYP3A4 4028/4885CYP2D6 3961/4885

“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.