SCHEMBL4478946

SCHEMBL4478946

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
P2RX4 Q99571 1/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
USP2 O75604 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CASP1 P29466 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
BRCA1 P38398 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL3989442 0.84 NPBWR1 (0.41) MAPTRXFP1ALDH1A1SMN1; SMN2USP2
SCHEMBL13307022 0.78 CFTR (0.46) MAPTKMT2AP2RX4ALDH1A1SMN1; SMN2
SCHEMBL13307299 0.77 MAPT (0.41) MAPTKMT2AP2RX4ALDH1A1SMN1; SMN2
SCHEMBL3986121 0.76 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL13889574 0.75 KDM4E (0.46) MAPTP2RX4ALDH1A1TSHRHPGD
SCHEMBL31520378 0.74 TP53 (0.45) MAPTMEN1KMT2AP2RX4ALDH1A1
SCHEMBL25433242 0.73 KDM4E (0.48) MAPTRXFP1P2RX4ALDH1A1CYP1A2
SCHEMBL31208038 0.73 KDM4E (0.48) MAPTRXFP1P2RX4ALDH1A1CYP1A2
SCHEMBL4486345 0.70 TRAP1 (0.37) MAPTKMT2ASMN1; SMN2USP2TSHR
SCHEMBL3986813 0.70 TRAP1 (0.37) MAPTKMT2ASMN1; SMN2USP2TSHR

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 4 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
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 MAPT 4494/4885MEN1 2439/4885KMT2A 4532/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAPT 4590/4885MEN1 2022/4885KMT2A 4452/4885

“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.