SCHEMBL5003087

SCHEMBL5003087

Cc1cccc(N2CCN(c3cncc(-c4cc5ccccc5s4)n3)CC2)c1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
LMNA P02545 3/20 0.46
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.46
DCK P27707 1/20 0.40
TSHR P16473 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL4991852 0.79 DCK (0.41) MAPTGAADCKSMN1; SMN2ALDH1A1
SCHEMBL5003199 0.79 ALDH1A1 (0.48) MAPTLMNAHSP90AA1GAATSHR
SCHEMBL4995524 0.79 DCK (0.41) MAPTLMNADCKSMN1; SMN2NPSR1
SCHEMBL4996733 0.78 MAPT (0.51) MAPTLMNAHSP90AA1GAATSHR
SCHEMBL4997561 0.77 MAPT (0.51) MAPTGAATSHRTP53MEN1
SCHEMBL4995198 0.75 MAPT (0.46) MAPTTSHRTP53MEN1KMT2A
SCHEMBL4997364 0.73 TSHR (0.46) MAPTLMNAGAATSHRTP53
SCHEMBL4996829 0.73 ALDH1A1 (0.50) MAPTLMNAHSP90AA1GAATSHR
SCHEMBL5003384 0.72 LMNA (0.51) MAPTLMNAHSP90AA1GAATSHR
SCHEMBL3134206 0.71 CYP19A1 (0.50) DCK

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 MAPT 5/4885LMNA 2743/4885HSP90AA1 841/4885

“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.