SCHEMBL3989442

SCHEMBL3989442

COc1ccc(Cn2c(-c3c(F)cccc3F)c(Cl)nc(-n3cccn3)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.41
MAPT P10636 5/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 4/20 0.39
USP2 O75604 3/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP1 P29466 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
BRCA1 P38398 1/20 0.39
HIF1A Q16665 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL4478946 0.84 MAPT (0.43) MAPTTP53LMNAALDH1A1CYP1A2
SCHEMBL3986451 0.82 JAK2 (0.36) NPBWR1LMNAALDH1A1HSD17B10TSHR
SCHEMBL4487964 0.77 JAK2 (0.40) MAPTLMNAMAPK1ADORA3JAK2
SCHEMBL4485590 0.76 TP53 (0.33) NPBWR1MAPTTP53SMN1; SMN2ADORA3
SCHEMBL3993899 0.76 TP53 (0.33) NPBWR1MAPTTP53SMN1; SMN2ADORA3
SCHEMBL4882519 0.75 MAT2A (0.45) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL3989631 0.73 JAK2 (0.39) MAPK1JAK2TYK2
SCHEMBL4745803 0.73 KCNH2 (0.35) MAPTLMNAALDH1A1CYP1A2CYP2C9
SCHEMBL4489281 0.71 KCNH2 (0.34) LMNACYP2C9TSHRSMN1; SMN2
SCHEMBL4501834 0.70 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRSMN1; SMN2JAK2

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-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors E.I. DUPONT DE NEMOURS AND COMPANY (US) 2009-07-23 US disclosed
EP-2034993-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-03-18 EP disclosed
US-20080194585-A1 Fungicidal Pyrazine Derivatives SHARPE PAULA LOUISE 2008-08-14 US disclosed
WO-2007149448-A2 PYRAZINONES AS CELLULAR PROLIFERATION INHIBITORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-12-27 WO 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 (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 NPBWR1 1064/4885MAPT 4494/4885TP53 2558/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPBWR1 325/4885MAPT 4590/4885TP53 84/4885

“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.