Sugi Predict

Sugi Predict / Compounds / SCHEMBL4013969

SCHEMBL4013969

SCHEMBL4013969

Cc1cc(O)ccc1-c1nn(COCC[Si](C)(C)C)c2nc(Oc3ccc(F)cc3F)ncc12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 2/20 0.37
▸ MAPK14 Q16539 14/20 0.35
▸ MAPK11 Q15759 1/20 0.33
▸ GRIA1 P42261 1/20 0.33
▸ LPAR2 Q9HBW0 1/20 0.33
▸ ESR1 P03372 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
SCHEMBL14441092 0.90 MAPK14 (0.38) MAPK14MAPK11LPAR2ESR1
SCHEMBL4016692 0.81 MAPK14 (0.41) DGAT1MAPK14MAPK11
SCHEMBL5106565 0.76 MAPK14 (0.37) DGAT1MAPK14MAPK11
SCHEMBL5106564 0.76 MAPK14 (0.37) DGAT1MAPK14MAPK11
SCHEMBL4012290 0.72 MAPK14 (0.57) MAPK14MAPK11LPAR2
SCHEMBL4475894 0.69 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL4017735 0.68 MAPK14 (0.36) DGAT1MAPK14MAPK11
SCHEMBL4017734 0.68 MAPK14 (0.36) DGAT1MAPK14MAPK11
SCHEMBL4472386 0.67 FABP3 (0.41) MAPK14MAPK11
SCHEMBL25347713 0.66 DGAT1 (0.39) DGAT1

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 9 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-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 — — US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 — — US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 — — 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
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
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 — — 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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 DGAT1 1745/4885MAPK14 33/4885MAPK11 46/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 DGAT1 4226/4885MAPK14 48/4885MAPK11 58/4885

“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.