SCHEMBL4997730

SCHEMBL4997730

Cc1ccc(N2CCN(c3cncc(-c4csc5ccccc45)n3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43
MAPT P10636 8/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 2/20 0.40
ALDH1A1 P00352 5/20 0.38
PTK2 Q05397 2/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MAOB P27338 1/20 0.37
KDM1A O60341 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4995180 0.91 MAPT (0.44) ACVRL1ACVR1MAPTLMNATP53
SCHEMBL4997527 0.89 MAPT (0.48) ACVRL1ACVR1MAPTLMNATP53
SCHEMBL4994812 0.89 RAB9A (0.48) ACVRL1ACVR1MAPTLMNATP53
SCHEMBL4992152 0.88 ALDH1A1 (0.41) ACVRL1ACVR1MAPTTP53ALDH1A1
SCHEMBL4997051 0.88 MAPT (0.55) ACVRL1ACVR1MAPTLMNATP53
SCHEMBL4995160 0.88 ACVRL1 (0.41) ACVRL1ACVR1MAPTLMNATP53
SCHEMBL4995201 0.86 MAPT (0.44) ACVRL1ACVR1MAPTLMNATP53
SCHEMBL5000770 0.83 SSTR5 (0.41) ACVRL1ACVR1MAPTTP53ALDH1A1
SCHEMBL4997507 0.82 MAPK1 (0.42) MAPTALDH1A1RECQLCYP11B2MEN1
SCHEMBL4994805 0.82 MAPT (0.53) MAPTLMNATP53ALDH1A1PTK2

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 ACVRL1 3089/4885ACVR1 3055/4885MAPT 5/4885

“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.