SCHEMBL22951271

SCHEMBL22951271

Cn1nc(-c2cc[nH]c2)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ SYK P43405 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
SCHEMBL21233190 0.77 ALDH1A1 (0.40) BRAFMAPTALDH1A1
SCHEMBL12245379 0.77 MAPT (0.48) MAPTXBP1NPSR1
SCHEMBL12859412 0.76 MAPT (0.44) MAPTNPSR1ALDH1A1
SCHEMBL22952408 0.75 AKT1 (0.38) BRAF
SCHEMBL14008869 0.75 MAPT (0.45) MAPTNPSR1ALDH1A1
SCHEMBL22952448 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22952404 0.72 PHGDH (0.34) MAPTXBP1NPSR1
SCHEMBL22951397 0.72 LATS1 (0.37) MAPTXBP1NPSR1ALDH1A1
SCHEMBL22952438 0.72 ALDH1A1 (0.40) ALDH1A1
SCHEMBL22952405 0.72 KDM4C (0.35) —

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 BRAF 1212/4885MAPT 4751/4885XBP1 3867/4885

“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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