Sugi Predict

Sugi Predict / Compounds / SCHEMBL4014520

SCHEMBL4014520

SCHEMBL4014520

CC(O)CNc1nc(Oc2ccc(F)cc2F)cc2[nH]nc(-c3ccccc3Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.36
▸ MET P08581 4/20 0.35
▸ AXL P30530 4/20 0.35
▸ TYRO3 Q06418 4/20 0.35
▸ MERTK Q12866 4/20 0.35
▸ MAPK14 Q16539 9/20 0.35
▸ CTSA P10619 3/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ LPAR2 Q9HBW0 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 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
SCHEMBL4014509 1.00 TRPA1 (0.36) TRPA1METAXLTYRO3MERTK
SCHEMBL14018819 0.86 MAPK14 (0.42) TRPA1METAXLTYRO3MERTK
SCHEMBL4015293 0.86 MAPK14 (0.35) TRPA1METAXLTYRO3MERTK
SCHEMBL4017603 0.86 MAPK14 (0.42) TRPA1METAXLTYRO3MERTK
SCHEMBL4015286 0.86 MAPK14 (0.35) TRPA1METAXLTYRO3MERTK
SCHEMBL4017610 0.86 MAPK14 (0.42) TRPA1METAXLTYRO3MERTK
SCHEMBL4014052 0.81 MAPK14 (0.37) TRPA1METAXLTYRO3MERTK
SCHEMBL4014041 0.81 MAPK14 (0.37) TRPA1METAXLTYRO3MERTK
SCHEMBL14019123 0.81 MAPK14 (0.37) TRPA1METAXLTYRO3MERTK
SCHEMBL4840953 0.80 MAPK14 (0.35) METAXLTYRO3MERTKMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 — — US disclosed
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 — — US disclosed
EP-1919470-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 — — EP disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 — — US disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 — — WO disclosed
EP-1737865-A1 FUSED DERIVATIVES OF PYRAZOLE F.HOFFMANN-LA ROCHE AG (CH) 2007-01-03 — — EP disclosed
WO-2005085249-A1 FUSED DERIVATIVES OF PYRAZOLE F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 — — WO disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 — — 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 (2 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-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 TRPA1 2797/4885MET 3825/4885AXL 493/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 TRPA1 4812/4885MET 1428/4885AXL 3403/4885

“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.