SCHEMBL4076105

SCHEMBL4076105

CC(C)(C)c1cc(N)n(-c2cccc(OCCOC3CCCCO3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DHFR P00374 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TNF P01375 1/20 0.33
DDR2 Q16832 1/20 0.33
MAPK14 Q16539 6/20 0.33
MAPK9 P45984 2/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL4076188 0.92 KDM4C (0.42) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL4078729 0.91 KDM4C (0.39) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL16278814 0.90 KDM4C (0.39) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL4079759 0.89 KDM4C (0.40) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL16279038 0.89 ALDH1A1 (0.45) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL17687524 0.89 KDM4C (0.41) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL16280145 0.87 MEN1 (0.39) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL16280188 0.87 L3MBTL1 (0.42) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL15008645 0.84 KDM4C (0.38) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL16284440 0.84 L3MBTL1 (0.38) KDM4CNPC1RAB9AMEN1KMT2A

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527846-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 US disclosed
US-9527846-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 US disclosed
US-9527846-B2 Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-27 US disclosed
EP-2788349-B1 KINASE INHIBITORS CHIESI FARMA SPA (IT) 2016-10-26 EP disclosed
EP-2788349-B1 KINASE INHIBITORS CHIESI FARMA SPA (IT) 2016-10-26 EP disclosed
EP-2788348-B1 KINASE INHIBITORS CHIESI FARMA SPA (IT) 2016-10-19 EP disclosed
EP-2788348-B1 KINASE INHIBITORS CHIESI FARMA SPA (IT) 2016-10-19 EP disclosed
US-20160229852-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-11 US disclosed
US-20160229852-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-11 US disclosed
US-20160229852-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-11 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 US disclosed
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors PFIZER INC. 2009-09-24 US disclosed
EP-1778686-B9 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2009-07-08 EP disclosed
US-7511057-B2 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. (US) 2009-03-31 US disclosed
EP-1987022-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES Pfizer Products Inc. (US) 2008-11-05 EP disclosed
EP-1778686-B1 TRIAZOLOPYRIDINYLSULFANYL DERIVATIVES AS P38 MAP KINASE INHIBITORS PFIZER LTD (GB) 2008-10-29 EP disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed
WO-2007091176-A1 PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-08-16 WO disclosed
US-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors PFIZER INC. 2006-02-16 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 (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-20060035922-A1 Triazolopyridinylsulfanyl derivatives as p38 MAP kinase inhibitors MAPK1, MAPKAPK5, MAPKAPK3 KDM4C 4771/4885NPC1 1088/4885RAB9A 2552/4885
US-20160229852-A1 KINASE INHIBITORS MAPK1, MAP3K1, MAPK6 KDM4C 4488/4885NPC1 3491/4885RAB9A 856/4885
US-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 KDM4C 1262/4885NPC1 4791/4885RAB9A 2377/4885
US-20090239899-A1 Triazolopyridinylsulfanyl Derivatives As P38 Map Kinase Inhibitors MAPK1, MAPKAPK5, MAPKAPK3 KDM4C 4773/4885NPC1 934/4885RAB9A 2581/4885

“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.