SCHEMBL4877540

SCHEMBL4877540

CCC(C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(C(N)=O)c1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 3/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
GNRHR P30968 6/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL3986121 0.74 SMN1; SMN2 (0.39) TSHRALDH1A1LMNASMN1; SMN2GNRHR
SCHEMBL4484784 0.71 SMN1; SMN2 (0.37) TSHRALDH1A1LMNASMN1; SMN2GNRHR
SCHEMBL3986813 0.70 TRAP1 (0.37) TSHRLMNATP53SMN1; SMN2HTT
SCHEMBL4486345 0.70 TRAP1 (0.37) TSHRLMNATP53SMN1; SMN2HTT
SCHEMBL4418581 0.70 ADORA2B (0.32) GNRHRADORA2B
SCHEMBL3913556 0.69 ALDH1A1 (0.40) TSHRALDH1A1LMNASMN1; SMN2GNRHR
SCHEMBL4492304 0.68 ACLY (0.31) TSHRALDH1A1
SCHEMBL4481630 0.68 ACLY (0.31) TSHRALDH1A1
SCHEMBL3985349 0.67 ALDH1A1 (0.34) TSHRALDH1A1LMNASMN1; SMN2GNRHR
SCHEMBL4489281 0.67 KCNH2 (0.34) TSHRLMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 US claimed
EP-1848711-A1 FUNGICIDAL PYRAZINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-31 EP claimed
WO-2006089060-A1 FUNGICIDAL PYRAZINE DERIVATIVES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-24 WO claimed
US-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 US disclosed
EP-1848711-A1 FUNGICIDAL PYRAZINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2007-10-31 EP disclosed
WO-2006089060-A1 FUNGICIDAL PYRAZINE DERIVATIVES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-08-24 WO disclosed

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-20080194585-A1 Fungicidal Pyrazine Derivatives CBR3, CBR1, NR0B1 TSHR 795/4885ALDH1A1 2652/4885LMNA 4221/4885

“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.