SCHEMBL21981561

SCHEMBL21981561

COC(=O)c1cc(Oc2ncccn2)nn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ JMJD6 Q6NYC1 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL2512844 0.79 ALDH1A1 (0.47) CA12CA1CA2CA9MEN1
SCHEMBL2516485 0.77 CA12 (0.44) CA12CA1CA2CA9MEN1
SCHEMBL17473324 0.77 CA12 (0.41) CA12CA1CA2CA9MEN1
SCHEMBL26659381 0.76 CA12 (0.49) CA12CA1CA2CA9MEN1
SCHEMBL2518733 0.75 NPC1 (0.41) CA12CA1CA2CA9MEN1
SCHEMBL69696 0.74 MEN1 (0.44) CA12CA1CA2CA9MEN1
SCHEMBL4509093 0.73 PKM (0.55) CA12CA1CA2CA9MEN1
SCHEMBL21597813 0.73 PKM (0.41) CA12CA1CA2CA9RAB9A
SCHEMBL2362608 0.73 CA12 (0.38) CA12CA1CA2CA9RAB9A
SCHEMBL20671364 0.73 RAB9A (0.35) MEN1KMT2ARAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181117-A1 SUBSTITUTED 3-HETEROARYLOXY-1H-PYRAZOLES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-11 — — US disclosed
US-20200181117-A1 SUBSTITUTED 3-HETEROARYLOXY-1H-PYRAZOLES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-06-11 — — US disclosed
EP-3655402-A1 SUBSTITUTED 3-HETEROARYLOXY-1H-PYRAZOLES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2020-05-27 — — EP disclosed
CN-111132973-A Substituted 3-heteroaryloxy-1H-pyrazoles and their salts and their use as herbicidal active substances 拜耳作物科学股份公司 2020-05-08 — — CN 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-20200181117-A1 SUBSTITUTED 3-HETEROARYLOXY-1H-PYRAZOLES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES GLRX3, CYP4F3, AGXT CA12 4093/4885CA1 2646/4885CA2 950/4885

“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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