SCHEMBL4895089

SCHEMBL4895089

Nc1n[nH]c2ccc(-c3ccc(C(=O)Nc4cccc(OC(F)(F)F)c4)o3)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
SCN10A Q9Y5Y9 1/20 0.51
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
ULK1 O75385 1/20 0.45
JAK2 O60674 4/20 0.44
JAK1 P23458 4/20 0.44
LRRK2 Q5S007 1/20 0.44
FLT3 P36888 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FLT1 P17948 1/20 0.42

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
SCHEMBL4894817 0.86 ROCK2 (0.53) ALDH1A1HPGDLMNA
SCHEMBL13925599 0.80 ROCK2 (0.50) MAPTALDH1A1TSHRHTTSCN10A
SCHEMBL1180445 0.77 JAK2 (0.49) JAK2KDR
SCHEMBL4188172 0.77 JAK2 (0.49) MAPTALDH1A1GAAULK1JAK2
SCHEMBL13925600 0.77 KDR (0.44) MAPTALDH1A1GAAHPGDHTT
SCHEMBL13925601 0.76 KDR (0.44) MAPTALDH1A1ULK1JAK2JAK1
SCHEMBL12907169 0.75 JAK2 (0.60) JAK2JAK1HDAC6
SCHEMBL13925597 0.75 JAK2 (0.51) MAPTALDH1A1GAAHPGDMEN1
SCHEMBL4889529 0.74 ROCK2 (0.63) MAPTALDH1A1HPGD
SCHEMBL3053677 0.73 MAPT (0.57) MAPTALDH1A1GAAHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US claimed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 US claimed
US-8815924-B2 Heterocyclic carbonyl compounds MERCK PATENT GMBH (DE) 2014-08-26 US disclosed
US-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans MERCK PATENT GMBH (DE) 2008-04-17 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 (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-20080090882-A1 Inhibitors of kinase h-sgk (human serum and glucocorticoid dependent kinase or SGK); diabetes, obesity, metabolic syndrome, systemic and pulmonary hypertonia, cardiovascular diseases and kidney diseases, fibroses and inflammatory processes; amide-substituted imidazoles, oxazoles, thiazoles, or furans SGK1, SGK2, SGK3 MAPT 3797/4885ALDH1A1 3961/4885GAA 2935/4885

“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.