SCHEMBL16804999

SCHEMBL16804999

CCOc1cc(C)c(-c2cc(C(=O)OC)nn2C)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ CRHR1 P34998 2/20 0.39
▸ FAAH O00519 2/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ PLA2G10 O15496 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ S1PR2 O95136 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ JMJD6 Q6NYC1 1/20 0.35
▸ NNMT P40261 1/20 0.35
▸ POLQ O75417 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
SCHEMBL16804964 0.89 NNMT (0.46) MMP2MMP13MMP14CRHR1KDM4E
SCHEMBL16782951 0.88 MMP2 (0.43) MMP2MMP13MMP14FAAHNPC1
SCHEMBL16783070 0.87 MMP2 (0.42) MMP2MMP13MMP14CRHR1FAAH
SCHEMBL16804971 0.85 MMP2 (0.38) MMP2MMP13MMP14CRHR1KDM4E
SCHEMBL16804962 0.85 MMP2 (0.41) MMP2MMP13MMP14FAAHPLA2G10
SCHEMBL16804965 0.85 MMP2 (0.38) MMP2MMP13MMP14CRHR1NPC1
SCHEMBL16804951 0.85 PKM (0.41) MMP2MMP13MMP14SMN1; SMN2KDM4E
SCHEMBL16856612 0.84 MMP2 (0.43) MMP2MMP13MMP14FAAHNPC1
SCHEMBL16804972 0.84 MMP13 (0.40) MMP2MMP13MMP14FAAHNPC1
SCHEMBL16804982 0.84 MMP2 (0.40) MMP2MMP13MMP14FAAHNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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