SCHEMBL3877913

SCHEMBL3877913

C[C@H](Nc1nccc(-c2c(Cc3ccccc3Cl)c(=O)n3n2CCC3)n1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.61
MAPK13 O15264 14/20 0.61
MAPK12 P53778 14/20 0.61
MAPK11 Q15759 14/20 0.61
LCK P06239 1/20 0.43
MAPK1 P28482 1/20 0.43
IDH1 O75874 1/20 0.41

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
SCHEMBL3877916 1.00 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3879233 0.90 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3879239 0.90 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3877428 0.86 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL3881152 0.86 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL3881146 0.86 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL3889455 0.84 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL3889452 0.84 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL8273815 0.83 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3889340 0.80 MAPK13 (0.61) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482356-B2 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US claimed
JP-2007510739-A 2007-04-26 JP claimed
EP-1682551-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2006-07-26 EP claimed
WO-2005047287-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 WO claimed
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 US claimed
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors CLARK MICHAEL PHILIP 2009-03-12 US disclosed
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors CLARK MICHAEL PHILIP 2009-03-12 US disclosed
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors CLARK MICHAEL PHILIP 2009-03-12 US disclosed
US-7482356-B2 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
EP-1682551-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2006-07-26 EP disclosed
WO-2005047287-A2 BICYCLIC PYRAZOLONE CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 WO disclosed
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 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-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors IL1B, IL1A, IL1RN MAPK14 922/4885MAPK13 2033/4885MAPK12 2453/4885
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors IL1B, IL1A, IL1RN MAPK14 922/4885MAPK13 2033/4885MAPK12 2453/4885

“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.