SCHEMBL22952755

SCHEMBL22952755

Cn1nc(-c2cccnn2)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.44
▸ F2 P00734 2/20 0.38
▸ HTR2A P28223 2/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.31
▸ EGLN1 Q9GZT9 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
SCHEMBL22952439 0.79 KDM4E (0.47) F2PDE10A
SCHEMBL21233333 0.78 HTR2C (0.47) HTR2CF2HTR2AHTR2BPDE10A
SCHEMBL12245379 0.73 MAPT (0.48) —
SCHEMBL21233324 0.73 F2 (0.33) F2
SCHEMBL22952761 0.72 ALDH1A1 (0.38) —
SCHEMBL22952403 0.71 LATS1 (0.38) F2PDE10A
SCHEMBL22951397 0.71 LATS1 (0.37) PDE10A
SCHEMBL22951410 0.70 CHRM1 (0.37) —
SCHEMBL22952415 0.70 KMT2A (0.37) —
SCHEMBL1456807 0.70 GOT1 (0.46) HTR2CHTR2AHTR2B

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 HTR2C 431/4885F2 4068/4885HTR2A 1327/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 HTR2C 223/4885F2 2833/4885HTR2A 656/4885

“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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