SCHEMBL16783060

SCHEMBL16783060

COC(=O)c1cc(-c2cnc(Cl)cc2C)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ PLA2G10 O15496 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLQ O75417 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL16804964 0.85 NNMT (0.46) MMP2MMP13MMP14PLA2G10POLQ
SCHEMBL16856612 0.82 MMP2 (0.43) MMP2MMP13MMP14PLA2G10SMN1; SMN2
SCHEMBL16856691 0.81 MMP2 (0.41) MMP2MMP13MMP14PLA2G10SMN1; SMN2
SCHEMBL16804999 0.81 MMP2 (0.45) MMP2MMP13MMP14PLA2G10SMN1; SMN2
SCHEMBL16804990 0.81 RXRA (0.35) MMP2MMP13MMP14PLA2G10SMN1; SMN2
SCHEMBL16804965 0.81 MMP2 (0.38) MMP2MMP13MMP14PLA2G10SMN1; SMN2
SCHEMBL16808951 0.80 MMP2 (0.37) MMP2MMP13MMP14PLA2G10SMN1; SMN2
SCHEMBL16804962 0.79 MMP2 (0.41) MMP2MMP13MMP14PLA2G10POLQ
SCHEMBL16804997 0.79 CHRNB2 (0.40) MMP2MMP13MMP14PLA2G10SMN1; SMN2
SCHEMBL17381180 0.78 MMP2 (0.43) MMP2MMP13MMP14PLA2G10ALDH1A1

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
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 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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