SCHEMBL3610985

SCHEMBL3610985

N#Cc1cc(-c2ccnc(C=Cc3ccc(F)cc3)c2)[nH]c1N1CCCC(O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.42
KCNMA1 Q12791 1/20 0.42
LRRK2 Q5S007 5/20 0.37
TP53 P04637 2/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TBK1 Q9UHD2 2/20 0.35
JAK2 O60674 5/20 0.34
MAPT P10636 2/20 0.34
AURKA O14965 2/20 0.34
LCK P06239 2/20 0.34
MET P08581 2/20 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
SCHEMBL3610981 1.00 MAPKAPK2 (0.42) MAPKAPK2KCNMA1LRRK2TP53DPP4
SCHEMBL3607125 0.90 MAPKAPK2 (0.46) MAPKAPK2KCNMA1KDM4EMEN1CASP1
SCHEMBL3607124 0.90 MAPKAPK2 (0.46) MAPKAPK2KCNMA1KDM4EMEN1CASP1
SCHEMBL3605831 0.89 MAPKAPK2 (0.48) MAPKAPK2TP53DPP4DPP8TBK1
SCHEMBL3605830 0.89 MAPKAPK2 (0.48) MAPKAPK2TP53DPP4DPP8TBK1
SCHEMBL13408147 0.87 MAPKAPK2 (0.44) MAPKAPK2DPP4DPP8JAK2MAPT
SCHEMBL13408150 0.87 MAPKAPK2 (0.44) MAPKAPK2DPP4DPP8JAK2MAPT
SCHEMBL14283118 0.87 MAPKAPK2 (0.44) MAPKAPK2KCNMA1LRRK2JAK2MAPT
SCHEMBL13408155 0.85 MAPKAPK2 (0.44) MAPKAPK2DPP4DPP8JAK2MAPT
SCHEMBL13408153 0.84 MAPKAPK2 (0.44) MAPKAPK2TP53JAK2MAPTAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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 (1 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 MAPKAPK2 4395/4885KCNMA1 3439/4885LRRK2 4306/4885

“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.