SCHEMBL4997488

SCHEMBL4997488

COc1cccc(-c2cncc(N3CCN(c4ccccc4F)CC3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
TSHR P16473 4/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 4/20 0.46
DRD4 P21917 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DRD2 P14416 1/20 0.46
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL4995126 0.88 DRD4 (0.59) LMNATSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL4994571 0.85 SMN1; SMN2 (0.51) LMNAMAPK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4991471 0.84 CYP1A2 (0.57) LMNAMAPK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4997603 0.84 NPC1 (0.59) ALDH1A1SMN1; SMN2NPC1MAPTDRD2
SCHEMBL5000701 0.83 LMNA (0.51) LMNAALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL5000827 0.82 ALDH1A1 (0.51) LMNATSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL4996925 0.82 MAPT (0.53) LMNAMAPK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL5003397 0.82 SMN1; SMN2 (0.53) LMNAMAPK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL4996238 0.81 NPC1 (0.50) LMNAALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL4992338 0.81 NPC1 (0.61) ALDH1A1SMN1; SMN2NPC1MAPTDRD2

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 LMNA 2743/4885TSHR 2332/4885MAPK1 545/4885

“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.