SCHEMBL10099182

SCHEMBL10099182

CCOC(=O)c1cnc(NCc2ccc(OC)c(OC)c2)c(N)c1N[C@H]1CN(Cc2ccccc2)CC[C@H]1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
ACHE P22303 1/20 0.44
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
JAK1 P23458 1/20 0.44
JAK3 P52333 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL566828 0.92 APP (0.48) APPACHEJAK1JAK3KDM4E
SCHEMBL566430 0.89 APP (0.43) APPACHEMAPTNPSR1JAK1
SCHEMBL3308729 0.89 APP (0.43) APPACHEMAPTNPSR1JAK1
SCHEMBL10099144 0.82 JAK1 (0.44) MAPTNPSR1JAK1JAK3KDM4E
SCHEMBL574975 0.81 APP (0.46) APPACHEJAK1JAK3KDM4E
SCHEMBL3315285 0.81 APP (0.46) APPACHEJAK1JAK3KDM4E
SCHEMBL574976 0.81 APP (0.46) APPACHEJAK1JAK3KDM4E
SCHEMBL2105766 0.75 JAK1 (0.73) JAK1JAK3
SCHEMBL566703 0.74 SIGMAR1 (0.45) JAK1JAK3KDM4EALDH1A1LMNA
SCHEMBL3312753 0.73 APP (0.45) APPACHEMAPTJAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE JAK2, JAK1, JAK3 APP 1995/4885ACHE 4673/4885MAPT 3074/4885

“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.