SCHEMBL16804973

SCHEMBL16804973

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.42
▸ MMP2 P08253 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ PLA2G10 O15496 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GRM5 P41594 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
SCHEMBL16808956 0.83 MAPT (0.39) POLQMMP2MMP13MMP14ALDH1A1
SCHEMBL16783070 0.83 MMP2 (0.42) MMP2MMP13MMP14PLA2G10ALDH1A1
SCHEMBL16804991 0.82 NPC1 (0.39) POLQMMP2MMP13MMP14PLA2G10
SCHEMBL16804994 0.82 PDE4D (0.37) POLQMMP2MMP13MMP14
SCHEMBL16804980 0.81 CRHR1 (0.36) POLQMMP2MMP13MMP14PLA2G10
SCHEMBL16805001 0.80 MMP2 (0.38) POLQMMP2MMP13MMP14
SCHEMBL16804964 0.80 NNMT (0.46) POLQMMP2MMP13MMP14PLA2G10
SCHEMBL16804984 0.79 PDE4D (0.46) POLQALDH1A1SMN1; SMN2L3MBTL1GRM5
SCHEMBL16804975 0.78 MMP2 (0.42) MMP2MMP13MMP14ALDH1A1SMN1; SMN2
SCHEMBL16804989 0.77 MMP2 (0.41) MMP2MMP13MMP14ALDH1A1

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 1 patent. 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

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 POLQ 3310/4885MMP2 4592/4885MMP13 3006/4885

“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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