SCHEMBL16804974

SCHEMBL16804974

CCOc1ncc(-c2cc(C(=O)OC)nn2C)c(C)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ FAAH O00519 2/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PLA2G10 O15496 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ JMJD6 Q6NYC1 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ PTGS2 P35354 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
SCHEMBL16783028 0.83 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL16783041 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL16804983 0.80 MMP2 (0.37) MMP2MMP13MMP14FAAHMEN1
SCHEMBL16804999 0.78 MMP2 (0.45) MMP2MMP13MMP14NPC1RAB9A
SCHEMBL16782951 0.76 MMP2 (0.43) MMP2MMP13MMP14NPC1RAB9A
SCHEMBL16783070 0.75 MMP2 (0.42) MMP2MMP13MMP14NPC1RAB9A
SCHEMBL16804982 0.75 MMP2 (0.40) MMP2MMP13MMP14NPC1SMN1; SMN2
SCHEMBL16856612 0.74 MMP2 (0.43) MMP2MMP13MMP14NPC1RAB9A
SCHEMBL16804967 0.74 MMP2 (0.50) MMP2MMP13MMP14NPC1RAB9A
SCHEMBL16804988 0.73 MMP2 (0.39) MMP2MMP13MMP14NPC1RAB9A

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 MMP2 4592/4885MMP13 3006/4885MMP14 3415/4885

“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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