SCHEMBL3986025

SCHEMBL3986025

Cc1ccc(-c2nc(Cl)c(-c3c(F)cccc3F)n(CC(C)C)c2=O)nc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
MET P08581 1/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK14 Q16539 5/20 0.34
NR1I2 O75469 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
GNRHR P30968 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2A6 P11509 1/20 0.32
PDE10A Q9Y233 1/20 0.32
DHODH Q02127 1/20 0.32
POLB P06746 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
SCHEMBL4493753 0.87 CASR (0.38) HCRTR1HCRTR2ALDH1A1SMN1; SMN2MAPK14
SCHEMBL3986121 0.83 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MAPK14GNRHRMEN1
SCHEMBL4483063 0.82 SYK (0.36) HCRTR1HCRTR2ALDH1A1SMN1; SMN2MAPK14
SCHEMBL4484784 0.78 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2MAPK14GNRHRMEN1
SCHEMBL3985349 0.75 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MAPK14P2RX3GNRHR
SCHEMBL3913556 0.75 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GNRHRNPSR1POLB
SCHEMBL4418581 0.71 ADORA2B (0.32) MAPK14GNRHRCYP3A4
SCHEMBL3991579 0.71 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MAPK14GNRHRMEN1
SCHEMBL4877540 0.65 TSHR (0.35) ALDH1A1SMN1; SMN2GNRHRNPSR1POLB
SCHEMBL4501834 0.64 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPK14GNRHRMEN1

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 HCRTR1 214/4885HCRTR2 511/4885MET 2722/4885
US-20090186907-A1 Pyrazinones As Cellular Proliferation Inhibitors MKI67, NR0B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HCRTR1 442/4885HCRTR2 768/4885MET 392/4885

“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.