SCHEMBL22952409

SCHEMBL22952409

CCCCCC(C)(CCC)c1cc(-c2cn[nH]c2)nn1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL22952780 0.79 — —
SCHEMBL22951275 0.79 — —
SCHEMBL22952408 0.78 AKT1 (0.38) GRM2PIM1PIM3PIM2
SCHEMBL22952450 0.77 — —
SCHEMBL22951403 0.77 COMT (0.35) PIM1
SCHEMBL22952775 0.76 — —
SCHEMBL22952449 0.75 — —
SCHEMBL22951400 0.74 — —
SCHEMBL22951269 0.74 — —
SCHEMBL22951406 0.73 CYP1A2 (0.37) —

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 GRM2 657/4885PIM1 4419/4885PIM3 4214/4885

“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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