SCHEMBL13788905

SCHEMBL13788905

CCC(C)Cn1c(-c2ccccc2)c(Cl)nc(-n2cccn2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
F2 P00734 9/20 0.35
F7 P08709 9/20 0.35
F3 P13726 9/20 0.35
EGLN1 Q9GZT9 1/20 0.35
MAT2A P31153 1/20 0.34
POLB P06746 1/20 0.33
METAP2 P50579 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
SCHEMBL13788908 0.85 TSHR (0.36) SMN1; SMN2TSHRLMNAHTTALDH1A1
SCHEMBL4489281 0.83 KCNH2 (0.34) SMN1; SMN2TSHRLMNAHTT
SCHEMBL4481630 0.81 ACLY (0.31) TSHRALDH1A1EGLN1
SCHEMBL4492304 0.81 ACLY (0.31) TSHRALDH1A1EGLN1
SCHEMBL3993899 0.80 TP53 (0.33) SMN1; SMN2TP53MAPTPOLB
SCHEMBL4485590 0.80 TP53 (0.33) SMN1; SMN2TP53MAPTPOLB
SCHEMBL13788907 0.78 TSHR (0.39) SMN1; SMN2TSHRLMNAHTTALDH1A1
SCHEMBL4742985 0.76 USP1 (0.36)
SCHEMBL3986102 0.76 USP1 (0.31) ALDH1A1
SCHEMBL4744316 0.76 PDE2A (0.33) SMN1; SMN2TP53MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors E.I. DUPONT DE NEMOURS AND COMPANY (US) 2009-07-23 US disclosed
US-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 US 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 (2 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 SMN1; SMN2 3995/4885TSHR 795/4885LMNA 4221/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SMN1; SMN2 3158/4885TSHR 150/4885LMNA 2584/4885

“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.