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SCHEMBL1646293

SCHEMBL1646293

O=C(O)CCCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.62
▸ MAPK14 Q16539 4/20 0.60
▸ MAPK13 O15264 3/20 0.60
▸ MAPK12 P53778 3/20 0.60
▸ MAPK11 Q15759 3/20 0.60
▸ CSNK1D P48730 5/20 0.56
▸ CSNK1E P49674 4/20 0.56
▸ PTGS2 P35354 1/20 0.48
▸ BRAF P15056 7/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ SRC P12931 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ MAPK3 P27361 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MAP4K4 O95819 3/20 0.44
▸ BMPR1B O00238 2/20 0.44
▸ CIT O14578 2/20 0.44
▸ RIPK2 O43353 2/20 0.44
▸ STK10 O94804 2/20 0.44
▸ ABL1 P00519 2/20 0.44

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
SCHEMBL5257891 0.90 CSNK1D (0.56) PTGIRMAPK14MAPK13MAPK12MAPK11
SCHEMBL5256066 0.86 MAPK14 (0.62) PTGIRMAPK14MAPK13MAPK12MAPK11
SCHEMBL14411548 0.86 MAPK14 (0.57) PTGIRMAPK14MAPK13MAPK12MAPK11
SCHEMBL6077523 0.84 CSNK1D (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1892201 0.84 CSNK1D (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1647431 0.81 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL417546 0.80 PTGIR (0.50) PTGIRMAPK14MAPK13MAPK12MAPK11
SCHEMBL10358778 0.79 PTGIR (0.51) PTGIRMAPK14MAPK13MAPK12MAPK11
SCHEMBL6077324 0.78 CSNK1D (0.63) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5450353 0.78 CSNK1D (0.63) MAPK14MAPK13MAPK12MAPK11CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2784072-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 — — EP disclosed
EP-2784070-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 — — EP disclosed
EP-2784071-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 — — EP disclosed
EP-2784073-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 — — EP disclosed
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 — — EP disclosed
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 — — EP disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — US disclosed
US-7153959-B2 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION (US) 2006-12-26 — — US disclosed
US-7071198-B1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION (US) 2006-07-04 — — US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 — — US disclosed
EP-1500657-A1 Substituted pyrazoles as P38 kinase inhibitors G.D. Searle LLC (US) 2005-01-26 — — EP disclosed
EP-1144403-B1 SUBSTITUTED PYRAZOLES AS P38 KINASE INHIBITORS SEARLE LLC (US) 2004-10-06 — — EP disclosed
US-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis PHARMACIA CORPORATION 2004-09-09 — — US disclosed
US-6617324-B1 Phenyl, cyclohexyl and pyridinyl or pyrimidinyl-substituted G. D. SEARLE & COMPANY 2003-09-09 — — US disclosed
US-6525059-B1 Mitogen-activated protein kinases (MAP); G. D. SEARLE & COMPANY 2003-02-25 — — US disclosed
US-6514977-B1 For treating p38 kinase mediated disorders G.D. SEARLE & COMPANY 2003-02-04 — — US disclosed
US-6423713-B1 Substituted pyrazoles as p38 kinase inhibitors G. D. SEARLE & COMPANY 2002-07-23 — — US disclosed
CN-1342157-A Substituted pyrazoles ASP38 kinase inhibitors SEARLE & CO (US) 2002-03-27 — — CN disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 — — EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 — — 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-20040176433-A1 treatment of tumor necrosis factor mediated disorders; asthma; inflammatory bowel disease; arthritis MAPK1, IL1R1, TNF PTGIR 83/4885MAPK14 12/4885MAPK13 22/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 PTGIR 98/4885MAPK14 7/4885MAPK13 4/4885

“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.