SCHEMBL3880977

SCHEMBL3880977

CSc1nccc(-c2c(Cc3ccccc3Cl)c(=O)n3n2CCC3)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.40
MAPK12 P53778 11/20 0.40
MAPK11 Q15759 11/20 0.40
MAPK14 Q16539 11/20 0.40
CSNK1E P49674 1/20 0.38
HTR6 P50406 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3883477 0.81 MEN1 (0.46) SMN1; SMN2ALDH1A1KDM4EHPGDMAPT
SCHEMBL3882356 0.80 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL8273815 0.79 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5623831 0.79 MAPK13 (0.38) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL3877913 0.79 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3877916 0.79 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3881146 0.77 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3881152 0.77 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3877428 0.77 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14
SCHEMBL3876875 0.77 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14CSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7482356-B2 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 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
US-20050113392-A1 Bicyclic pyrazolone cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 US 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 MAPK13 2033/4885MAPK12 2453/4885MAPK11 2410/4885
US-20090069355-A1 Bicyclic pyrazolone cytokine inhibitors IL1B, IL1A, IL1RN MAPK13 2033/4885MAPK12 2453/4885MAPK11 2410/4885

“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.