SCHEMBL4996771

SCHEMBL4996771

COc1ccc(N2CCN(c3cncc(-c4cccs4)n3)CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APLNR P35414 1/20 0.43
FYN P06241 1/20 0.43
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
RPS6KB2 Q9UBS0 1/20 0.41
GAA P10253 3/20 0.41
GLA P06280 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.40

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
SCHEMBL4992400 0.81 HRH4 (0.46) NPC1HTR7PDGFRBPDGFRA
SCHEMBL5000770 0.79 SSTR5 (0.41) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL4997044 0.79 HTR7 (0.46) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL4994280 0.79 MAP4K1 (0.45) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL4994661 0.79 ACVR1 (0.42) MAPTHTTGAAHTR7
SCHEMBL5000665 0.78 NPC1 (0.50) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL5000876 0.78 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL5003388 0.78 HTR7 (0.43) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL4987417 0.78 RAD52 (0.45) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL5000702 0.78 MAPT (0.45) ALDH1A1MAPTKDM4ENPC1RAB9A

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 ALDH1A1 1034/4885MAPT 5/4885KDM4E 3445/4885

“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.