SCHEMBL20671575

SCHEMBL20671575

CCn1nc(Oc2ncccn2)c(Sc2ccccc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TP53 P04637 6/20 0.34
▸ MAPT P10636 10/20 0.34
▸ GAA P10253 6/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ SLC6A4 P31645 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL20659430 0.83 LMNA (0.41) POLBLMNATP53MAPTGAA
SCHEMBL20659816 0.79 POLB (0.36) POLBLMNATP53MAPTGAA
SCHEMBL22027756 0.79 POLB (0.48) POLBLMNATP53MAPTGAA
SCHEMBL20671576 0.77 POLB (0.32) POLBLMNAALOX15
SCHEMBL21609746 0.75 POLB (0.33) POLBTP53MAPTGAASMN1; SMN2
SCHEMBL20671368 0.73 POLB (0.43) POLBLMNATP53MAPTGAA
SCHEMBL20671317 0.70 ALDH1A1 (0.36) POLBLMNATP53MAPTGAA
SCHEMBL20671446 0.63 LMNA (0.46) POLBLMNATP53MAPTGAA
SCHEMBL17156397 0.62 DHODH (0.55) POLBLMNATP53MAPTGAA
SCHEMBL6420111 0.61 POLB (0.46) POLBLMNATP53MAPTGAA

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
WO-2019016066-A1 SUBSTITUTED 3-HETEROARYLOXY-1H-PYRAZOLES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 — — WO 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 POLB 3753/4885LMNA 4546/4885ALOX15 1612/4885

“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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