SCHEMBL22952405

SCHEMBL22952405

Cn1nc(-c2ccc[nH]2)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.35
▸ P2RY6 Q15077 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.33
▸ PARP1 P09874 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ MET P08581 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ HSF1 Q00613 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
SCHEMBL21233327 0.74 KDM4C (0.38) KDM4CP2RY6PBRM1PARP1BACE1
SCHEMBL22951405 0.74 COMT (0.45) —
SCHEMBL12245379 0.73 MAPT (0.48) —
SCHEMBL22951271 0.72 BRAF (0.33) —
SCHEMBL22952448 0.72 ALDH1A1 (0.30) —
SCHEMBL22952777 0.71 — —
SCHEMBL22353540 0.70 TSHR (0.42) —
SCHEMBL21233324 0.69 F2 (0.33) —
SCHEMBL22952439 0.69 KDM4E (0.47) —
SCHEMBL30877322 0.68 KMT2A (0.48) KDM4CPBRM1PARP1BACE1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 — — US disclosed
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 (2 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 KDM4C 143/4885P2RY6 1156/4885PBRM1 3188/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 KDM4C 817/4885P2RY6 1876/4885PBRM1 2072/4885

“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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