SCHEMBL4772886

SCHEMBL4772886

CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.77

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.77

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
Sulfuric Acid SCHEMBL4769300 0.92 MAPK14 (0.89) MAPK14
Toluene SCHEMBL6225546 0.91 MAPK14 (0.78) MAPK14
SCHEMBL4765131 0.91 MAPK14 (0.87) MAPK14
SCHEMBL4762527 0.88 MAPK14 (1.00) MAPK14
Hydrochloric Acid SCHEMBL4762463 0.87 MAPK14 (0.98) MAPK14
Hydrochloric Acid SCHEMBL4763512 0.86 MAPK14 (0.96) MAPK14
SCHEMBL6780151 0.85 MAPK14 (1.00) MAPK14
SCHEMBL4764009 0.80 MAPK14 (1.00) MAPK14
SCHEMBL4762394 0.78 MAPK14 (1.00) MAPK14
SCHEMBL4762364 0.78 MAPK14 (1.00) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005051974-A2 NOVEL MOLECULES FOR REGULATING CELL DEATH THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-06-09 WO claimed
EP-1537108-B1 DI AND TRIFLUORO-TRIAZOLO-PYRIDINES ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2008-11-19 EP disclosed
US-7259171-B2 Di and trifluoro-triazolo-pyridines anti-inflammatory compounds PFIZER INC. (US) 2007-08-21 US disclosed
US-6949652-B2 Crystalline forms of 3-isopropyl-6-[4-(2,5-difluoro-phenyl)-oxazol-5-yl]-[1,2,4]triazolo-[4,3-A]pyridine PFIZER, INC. (US) 2005-09-27 US disclosed
EP-1537108-A1 DI AND TRIFLUORO-TRIAZOLO-PYRIDINES ANTI-INFLAMMATORY COMPOUNDS Pfizer Products Inc. (US) 2005-06-08 EP disclosed
US-20040143119-A1 Novel crystalline forms of 3-isopropyl-6-[4-(2,5-difluoro-phenyl)-oxazol-5-yl]-[1,2,4]triazolo-[4,3-A]pyridine PFIZER INC 2004-07-22 US disclosed
US-20040092547-A1 Alkyl-[4-(difluorophenyl)-oxazol-5-yl]-triazolo-pyridines PFIZER INC 2004-05-13 US disclosed
US-20040053959-A1 Novel processes and intermediates for preparing triazolo-pyridines PFIZER INC. 2004-03-18 US disclosed
US-20040053958-A1 Di and trifluoro-triazolo-pyridines anti-inflammatory compounds PFIZER INC. 2004-03-18 US disclosed
WO-2004020440-A1 DI AND TRIFLUORO-TRIAZOLO-PYRIDINES ANTI-INFLAMMATORY COMPOUNDS PFIZER PRODUCTS INC. (US) 2004-03-11 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 (4 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-20040053958-A1 Di and trifluoro-triazolo-pyridines anti-inflammatory compounds MAPK1, CNKSR1, CCR2 MAPK14 128/4885
US-20040143119-A1 Novel crystalline forms of 3-isopropyl-6-[4-(2,5-difluoro-phenyl)-oxazol-5-yl]-[1,2,4]triazolo-[4,3-A]pyridine MAPK14, MAPKAPK2, MAPK15 MAPK14 1/4885
US-20040092547-A1 Alkyl-[4-(difluorophenyl)-oxazol-5-yl]-triazolo-pyridines MAPK1, MAP4K2, MAPK4 MAPK14 44/4885
US-20040053959-A1 Novel processes and intermediates for preparing triazolo-pyridines MAPK1, CNKSR1, MAPK3 MAPK14 37/4885

“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.