SCHEMBL4021783

SCHEMBL4021783

N#Cc1cccc(-c2ccc(F)nc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.56
GABRG2 P18507 7/20 0.54
GABRB3 P28472 7/20 0.54
GABRA5 P31644 7/20 0.54
GABRA3 P34903 7/20 0.54
CLK4 Q9HAZ1 1/20 0.53
CYP11B1 P15538 2/20 0.50
KCNH2 Q12809 1/20 0.49
NPY5R Q15761 1/20 0.49
MAP4K4 O95819 1/20 0.48
GABRA1 P14867 1/20 0.48
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
EGLN2 Q96KS0 1/20 0.47
IDO1 P14902 2/20 0.46
ALDH1A3 P47895 1/20 0.46
CYP17A1 P05093 1/20 0.45

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
SCHEMBL3611591 0.85 NOTUM (0.50) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL1422403 0.81 CHRNB2 (0.60) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL2539950 0.80 CYP11B2 (0.56) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL3881340 0.80 CLK4 (0.53) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL3266198 0.80 CLK4 (0.53) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL6923115 0.80 CLK4 (0.53) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL5562910 0.80 MAP4K4 (0.62) CYP11B2GABRG2GABRB3GABRA5GABRA3
SCHEMBL18223984 0.80 SYK (0.53) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL23228524 0.78 CLK4 (0.59) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL29620507 0.78 CLK4 (0.59) GABRG2GABRB3GABRA5GABRA3CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024152710-A1 GLUTAMINYL CYCLASE INHIBITOR AND USE THEREOF 上海市第十人民医院 2024-07-25 WO claimed
WO-2024152710-A1 GLUTAMINYL CYCLASE INHIBITOR AND USE THEREOF 上海市第十人民医院 2024-07-25 WO disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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 (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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R CYP11B2 804/4885GABRG2 372/4885GABRB3 136/4885

“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.