SCHEMBL16782997

SCHEMBL16782997

O=C(O)c1cnc(Cl)cc1OC1COC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 4/20 0.47
▸ PRKAB2 O43741 2/20 0.41
▸ PRKAG1 P54619 2/20 0.41
▸ PRKAA2 P54646 2/20 0.41
▸ PRKAA1 Q13131 2/20 0.41
▸ PRKAG3 Q9UGI9 2/20 0.41
▸ PRKAG2 Q9UGJ0 2/20 0.41
▸ PRKAB1 Q9Y478 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ POLQ O75417 2/20 0.36
▸ GRIK1 P39086 2/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ SCN9A Q15858 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ LPL P06858 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL16783007 0.89 CNR2 (0.42) KMOPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16782971 0.86 CNR2 (0.43) KMOCNR2POLQSCN9ACHEK1
SCHEMBL16782957 0.82 CNR2 (0.38) KMOCNR2POLQSCN9ALRRK2
SCHEMBL16804996 0.78 ALDH1A1 (0.38) KMOCNR2POLQSCN9AGRM5
SCHEMBL26598640 0.77 KMO (0.36) KMOCNR2SCN9ALRRK2
SCHEMBL31436634 0.77 KMO (0.36) KMOCNR2SCN9ALRRK2
SCHEMBL32666972 0.77 KMO (0.42) KMOPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL15776068 0.77 KMO (0.59) KMOPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16873023 0.75 IRAK4 (0.40) IRAK4
SCHEMBL3527742 0.73 ALDH1A1 (0.47) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
WO-2015090579-A1 PYRAZOLYL-BASED CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — US disclosed
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 — — 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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 KMO 740/4885PRKAB2 1474/4885PRKAG1 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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