SCHEMBL22951314

SCHEMBL22951314

Cn1ncc(-c2cnc3ncnn3c2)c1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CYP11B2 P19099 1/20 0.33
▸ CHRM5 P08912 1/20 0.31
▸ PDE2A O00408 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30

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
SCHEMBL21240977 0.81 CYP11B2 (0.42) GAACYP2C19CYP11B2CHRM5PDE10A
SCHEMBL22952451 0.72 CYP11B2 (0.40) CYP11B2
SCHEMBL22951277 0.70 CYP11B2 (0.36) GAACYP2C19CYP11B2
SCHEMBL22951292 0.70 CYP11B2 (0.33) CYP11B2
SCHEMBL13508897 0.70 PDE10A (0.38) GAACYP2C19PDE10A
SCHEMBL22952474 0.69 KDM4E (0.37) CYP2C19CHRM5PDE2A
SCHEMBL15158515 0.68 CYP11B2 (0.46) CYP11B2
SCHEMBL22952799 0.68 BRD4 (0.34) CYP11B2
SCHEMBL22952429 0.68 CYP11B2 (0.40) CYP11B2
SCHEMBL11469863 0.65 MAP4K4 (0.54) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 — — 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 (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-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 GAA 4531/4885CYP2C19 257/4885CYP11B2 159/4885

“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.

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