SCHEMBL5000659

SCHEMBL5000659

COc1ccc(N2CCN(c3cncc(-c4ccc(F)cc4F)n3)CC2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 2/20 0.39
GRIN2B Q13224 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
TNK2 Q07912 3/20 0.39
MAPK7 Q13164 1/20 0.39
AR P10275 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL5003388 0.82 HTR7 (0.43) ALDH1A1MAPTKCNH2TP53MAPK1
SCHEMBL4992856 0.81 TP53 (0.50) PKMCYP2D6ALDH1A1CYP1A2CYP3A4
SCHEMBL5000702 0.81 MAPT (0.45) ALDH1A1MAPTKDM4EHTR7
SCHEMBL4995183 0.81 CYP11B1 (0.43) CYP1A2CYP3A4MAPTACHEBACE1
SCHEMBL4997044 0.81 HTR7 (0.46) ALDH1A1CYP1A2MAPTKDM4ECYP11B2
SCHEMBL4995032 0.80 MAPT (0.52) PKMALDH1A1MAPTTP53MAPK1
SCHEMBL4994150 0.79 HTR7 (0.45) ALDH1A1MAPTTP53MAPK1KDM4E
SCHEMBL4996259 0.79 HTR7 (0.44) ALDH1A1MAPTMAPK1KDM4EHTR7
SCHEMBL4995538 0.79 HTR7 (0.42) ALDH1A1MAPTKCNH2TNK2KDM4E
SCHEMBL4994280 0.78 MAP4K1 (0.45) ALDH1A1MAPTKCNH2MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C PKM 289/4885CYP2D6 1719/4885ALDH1A1 1034/4885

“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.