SCHEMBL4894925

SCHEMBL4894925

Nc1n[nH]c2ccc(-c3ccc(C(=O)NCc4cccc(Cl)c4)o3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.54
MAPK3 P27361 1/20 0.54
JAK2 O60674 2/20 0.51
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ROCK2 O75116 1/20 0.48
JAK1 P23458 1/20 0.48
TP53 P04637 3/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 2/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
S1PR4 O95977 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4888993 0.89 ROCK2 (0.49) MAPK1MAPK3JAK2ALDH1A1LMNA
SCHEMBL4889529 0.88 ROCK2 (0.63) ALDH1A1KDM4EROCK2HPGDMAPT
SCHEMBL5186631 0.85 JAK2 (0.47) MAPK1MAPK3JAK2ROCK2JAK1
SCHEMBL4894817 0.84 ROCK2 (0.53) ALDH1A1LMNAKDM4EROCK2HPGD
SCHEMBL13925597 0.83 JAK2 (0.51) JAK2ALDH1A1KDM4EJAK1HPGD
SCHEMBL4891729 0.82 PRKACA (0.46) MAPK1ALDH1A1LMNAKDM4EROCK2
SCHEMBL922525 0.81 MAPK1 (0.74) MAPK1MAPK3JAK2ROCK2JAK1
SCHEMBL4188172 0.81 JAK2 (0.49) MAPK1JAK2ALDH1A1KDM4EROCK2
SCHEMBL13925598 0.80 JAK2 (0.48) JAK2ALDH1A1KDM4EROCK2JAK1
SCHEMBL4897201 0.80 MAPK1 (0.52) MAPK1MAPK3JAK2ROCK2JAK1

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 MAPK1 142/4885MAPK3 227/4885JAK2 375/4885

“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.