SCHEMBL22952415

SCHEMBL22952415

Cn1nc(-c2csnn2)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ RAB9A P51151 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GRN P28799 1/20 0.31

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
SCHEMBL21233110 0.77 KMT2A (0.44) KMT2APOLBNOTUMRAB9ANPC1
SCHEMBL22952424 0.76 MGLL (0.32) —
SCHEMBL22952782 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL22952453 0.75 TDP2 (0.36) ALDH1A1
SCHEMBL22951274 0.73 — —
SCHEMBL22952428 0.71 KDM4E (0.30) KDM4EGRNSORT1
SCHEMBL22952789 0.71 KDM4E (0.30) KDM4EGRNSORT1
SCHEMBL22952785 0.70 — —
SCHEMBL22952755 0.70 HTR2C (0.44) —
SCHEMBL1624105 0.69 KMT2A (0.54) KMT2APOLBNOTUMRAB9ANPC1

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 KMT2A 1922/4885POLB 703/4885NOTUM 2483/4885

“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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