SCHEMBL16804964

SCHEMBL16804964

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.46
▸ CRHR1 P34998 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ POLQ O75417 2/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ PLA2G10 O15496 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ FBP1 P09467 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ JMJD6 Q6NYC1 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
SCHEMBL16804999 0.89 MMP2 (0.45) NNMTCRHR1MMP2MMP13MMP14
SCHEMBL16804965 0.88 MMP2 (0.38) NNMTCRHR1MMP2MMP13MMP14
SCHEMBL16808951 0.87 MMP2 (0.37) NNMTCRHR1MMP2MMP13MMP14
SCHEMBL16804997 0.86 CHRNB2 (0.40) MMP2MMP13MMP14PLA2G10ATM
SCHEMBL16804962 0.86 MMP2 (0.41) MMP2MMP13MMP14POLQABL1
SCHEMBL16783060 0.85 MMP2 (0.40) MMP2MMP13MMP14POLQABL1
SCHEMBL16804971 0.84 MMP2 (0.38) CRHR1MMP2MMP13MMP14PLA2G10
SCHEMBL16804951 0.83 PKM (0.41) MMP2MMP13MMP14PLA2G10KMT2A
SCHEMBL16804995 0.83 MAPT (0.40) MMP2MMP13MMP14KMT2AMEN1
SCHEMBL16856612 0.82 MMP2 (0.43) MMP2MMP13MMP14POLQPLA2G10

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 NNMT 147/4885CRHR1 3504/4885MMP2 4592/4885

“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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