Sugi Predict

Sugi Predict / Compounds / SCHEMBL4017922

SCHEMBL4017922

SCHEMBL4017922

CC(O)CNc1cc(F)nc(Oc2ccc(F)cc2F)c1C(=O)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ CARM1 Q86X55 2/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CTSA P10619 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ TRPA1 O75762 2/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ P2RY1 P47900 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
SCHEMBL4011988 0.88 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14CARM1
SCHEMBL4011982 0.88 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14CARM1
SCHEMBL4019332 0.82 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14CARM1
SCHEMBL4019337 0.82 MAPK13 (0.36) MAPK13MAPK12MAPK11MAPK14CARM1
SCHEMBL4016377 0.82 LMNA (0.37) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4015280 0.82 LMNA (0.37) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4019207 0.76 NPC1 (0.37) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4019203 0.76 NPC1 (0.37) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4015286 0.70 MAPK14 (0.35) MAPK11MAPK14CTSATRPA1
SCHEMBL4015293 0.70 MAPK14 (0.35) MAPK11MAPK14CTSATRPA1

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 MAPK13 77/4885MAPK12 76/4885MAPK11 75/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 MAPK13 38/4885MAPK12 43/4885MAPK11 46/4885

“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.