SCHEMBL22952429

SCHEMBL22952429

Cn1ncc(-c2ccnnc2)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.40
▸ BRAF P15056 1/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HIF1A Q16665 1/20 0.30
▸ LATS1 O95835 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
SCHEMBL15158515 0.77 CYP11B2 (0.46) CYP11B2MAPK1HIF1A
SCHEMBL21233343 0.77 CYP11B2 (0.51) CYP11B2BRAFMAPK3MAPK1HIF1A
SCHEMBL22951297 0.75 NPC1 (0.42) CYP11B2
SCHEMBL22952451 0.74 CYP11B2 (0.40) CYP11B2
SCHEMBL22951312 0.73 CYP11B2 (0.37) CYP11B2
SCHEMBL21241317 0.73 CYP11B2 (0.35) CYP11B2BRAFMAPK3MAPK1HIF1A
SCHEMBL22951419 0.73 CYP11B2 (0.40) CYP11B2BRAFHIF1A
SCHEMBL22952431 0.72 CYP11B2 (0.39) CYP11B2
SCHEMBL22952799 0.70 BRD4 (0.34) CYP11B2HIF1A
SCHEMBL22678962 0.66 KDM4E (0.32) CYP11B2

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 CYP11B2 159/4885BRAF 1212/4885MAPK3 3231/4885

“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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