SCHEMBL6078034

SCHEMBL6078034

Fc1ccc(-c2cnn(CCN3CCOCC3)c2-c2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.58
MAPK13 O15264 8/20 0.58
MAPK12 P53778 8/20 0.58
MAPK11 Q15759 8/20 0.58
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
RECQL P46063 1/20 0.51
ALDH1A1 P00352 1/20 0.48
PRKAB2 O43741 1/20 0.46
LCK P06239 1/20 0.46
BMP4 P12644 1/20 0.46
SRC P12931 1/20 0.46
FLT1 P17948 1/20 0.46
EPHA2 P29317 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46

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
SCHEMBL6076416 0.81 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6077636 0.78 S1PR1 (0.44) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL1647324 0.76 S1PR1 (0.60) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL1386914 0.75 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6077643 0.74 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL5255744 0.74 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL4916399 0.74 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5451477 0.74 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL3488038 0.73 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL5639664 0.72 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11ALOX5

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-7019005-B2 3 (5)-heteroaryl substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & CO. (US) 2006-03-28 US disclosed
US-20040147579-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION 2004-07-29 US disclosed
US-6579873-B2 Treatment of inflammation, arthritis, bone disorders, respiratory system disorders PHARMACIA CORPORATION 2003-06-17 US disclosed
US-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION 2002-07-04 US disclosed
US-6335336-B1 TREATING TUMOR NECROSIS FACTOR AND MITOGEN-ACTIVATED PROTEIN KINASE(MAP) MEDIATED DISORDERS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; INFLAMMATORY BOWEL DISEASE G.D. SEARLE & COMPANY 2002-01-01 US disclosed
CN-1264376-A 3(5)-Heteroaryl substituted pyrazoles as P38 kinase inhibitors SEARLE & CO (US) 2000-08-23 CN disclosed
US-6087496-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-07-11 US disclosed
EP-0983260-A2 3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-03-08 EP disclosed
WO-1998052937-A2 4-ARYL-3(5)-HETEROARYL SUBSTITUTED PYRAZOLES AS P38 KINASE G.D. SEARLE AND CO. (US) 1998-11-26 WO 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-20040147579-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK3 MAPK14 26/4885MAPK13 28/4885MAPK12 50/4885
US-20020086869-A1 3 (5) -heteroaryl substituted pyrazoles as p38 kinase inhibitors MAPK1, MAPKAPK2, MAPK3 MAPK14 26/4885MAPK13 28/4885MAPK12 50/4885

“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.