SCHEMBL16804990

SCHEMBL16804990

COC(=O)c1cc(-c2cnc(Cl)cc2OC(F)F)n(C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ RORC P51449 2/20 0.34
▸ PLA2G10 O15496 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ JAK2 O60674 2/20 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
SCHEMBL16804988 0.84 MMP2 (0.39) RXRAGRIN1GRIN2BMMP2MMP13
SCHEMBL16804980 0.82 CRHR1 (0.36) MMP2MMP13MMP14RORCPLA2G10
SCHEMBL16783060 0.81 MMP2 (0.40) MMP2MMP13MMP14PLA2G10SMN1; SMN2
SCHEMBL21605651 0.77 FAAH (0.41) RORCKMT2A
SCHEMBL16783072 0.76 LMNA (0.43) MMP2MMP13MMP14SMN1; SMN2NPC1
SCHEMBL24774262 0.74 MEN1 (0.41) GAAENPP1SMN1; SMN2NPC1MAPT
SCHEMBL16804973 0.74 POLQ (0.42) MMP2MMP13MMP14PLA2G10GAA
SCHEMBL16804997 0.73 CHRNB2 (0.40) MMP2MMP13MMP14PLA2G10SMN1; SMN2
SCHEMBL16808956 0.73 MAPT (0.39) MMP2MMP13MMP14SMN1; SMN2NPC1
SCHEMBL16782959 0.72 PDE4D (0.46) SMN1; SMN2NPC1MAPTRAB9AMEN1

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 3 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
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 RXRA 157/4885GRIN1 519/4885GRIN2B 656/4885

“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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