SCHEMBL22952453

SCHEMBL22952453

Cn1nc(-c2cscn2)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.36
▸ METAP1 P53582 3/20 0.35
▸ METAP2 P50579 2/20 0.35
▸ KDM4A O75164 1/20 0.33
▸ KDM4B O94953 1/20 0.33
▸ KDM5C P41229 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PDE10A Q9Y233 3/20 0.31
▸ LRRK2 Q5S007 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
SCHEMBL21233186 0.77 TDP2 (0.41) TDP2METAP1METAP2KDM4AKDM4B
SCHEMBL22952449 0.77 — —
SCHEMBL22952415 0.75 KMT2A (0.37) ALDH1A1
SCHEMBL21233185 0.72 HRH4 (0.40) —
SCHEMBL22952785 0.72 — —
SCHEMBL22951272 0.71 — —
SCHEMBL21233324 0.70 F2 (0.33) —
SCHEMBL22952439 0.70 KDM4E (0.47) METAP1METAP2ALDH1A1PDE10A
SCHEMBL22951394 0.70 PIM1 (0.35) ALDH1A1TSHRPDE10A
SCHEMBL22952782 0.70 ALDH1A1 (0.33) ALDH1A1

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 TDP2 3539/4885METAP1 4396/4885METAP2 4302/4885

“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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