SCHEMBL3155679

SCHEMBL3155679

COC(C)N(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
MAPK1 P28482 2/20 0.68
GABRA1 P14867 1/20 0.68
GABRG2 P18507 1/20 0.68
GABRB3 P28472 1/20 0.68
GABRA2 P47869 1/20 0.68
GABRB2 P47870 1/20 0.68
AOX1 Q06278 1/20 0.68
PDE3A Q14432 1/20 0.68
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
MDM2 Q00987 1/20 0.42
TLR8 Q9NR97 1/20 0.41
PIM1 P11309 2/20 0.38
MAPK13 O15264 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3160683 0.90 KDM4E (0.72) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL3162446 0.85 KDM4E (0.74) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL3171160 0.84 KDM4E (0.69) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL29530755 0.84 KDM4E (0.77) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL3161983 0.84 KDM4E (0.77) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL5742338 0.82 KDM4E (0.80) KDM4EMAPK1GABRA1GABRG2GABRB3
Zaleplon SCHEMBL5605771 0.81 KDM4E (1.00) KDM4EMAPK1GABRA1GABRG2GABRB3
Zaleplon SCHEMBL29118 0.81 KDM4E (1.00) KDM4EMAPK1GABRA1GABRG2GABRB3
Zaleplon SCHEMBL29375436 0.81 KDM4E (1.00) KDM4EMAPK1GABRA1GABRG2GABRB3
SCHEMBL3155672 0.81 KDM4E (0.78) KDM4EMAPK1GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713808-B1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC (US) 2010-02-24 EP claimed
US-7498434-B2 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC (US) 2009-03-03 US claimed
US-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC, (US) 2007-07-05 US claimed
EP-1713808-B1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC (US) 2010-02-24 EP disclosed
US-7498434-B2 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC (US) 2009-03-03 US disclosed
US-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines MALLINCKRODT INC, (US) 2007-07-05 US disclosed
EP-1713808-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT, INC. (US) 2006-10-25 EP disclosed
WO-2005070931-A1 TWO-PHASE METHOD FOR THE SYNTHESIS OF SELECTED PYRAZOLOPYRIMIDINES MALLINCKRODT INC. (US) 2005-08-04 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-20070155995-A1 Two-phase method for the synthesis of selected pyrazolopyrimidines AZI2, CDK2, TPMT KDM4E 3705/4885MAPK1 558/4885GABRA1 2916/4885

“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.