SCHEMBL5764429

SCHEMBL5764429

N#Cc1ccc2ncnc(NCc3ccccc3)c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.78
ALDH1A1 P00352 7/20 0.78
CYP1A2 P05177 7/20 0.78
HSD17B10 Q99714 7/20 0.78
MAPK1 P28482 6/20 0.78
CYP3A4 P08684 6/20 0.78
CYP2D6 P10635 6/20 0.78
TSHR P16473 5/20 0.78
CYP2C9 P11712 5/20 0.78
USP2 O75604 4/20 0.78
CLK4 Q9HAZ1 4/20 0.78
HIF1A Q16665 4/20 0.78
TP53 P04637 2/20 0.78
RECQL P46063 1/20 0.78
CCNC P24863 2/20 0.77
CDK8 P49336 2/20 0.77
CDKN1A P38936 1/20 0.77
CDK19 Q9BWU1 1/20 0.77
SMN1; SMN2 Q16637 3/20 0.67
HTT P42858 3/20 0.67

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
SCHEMBL29383948 0.87 CCNC (1.00) LMNAALDH1A1CYP1A2HSD17B10MAPK1
SCHEMBL23683117 0.87 PDE5A (0.65) LMNAALDH1A1CYP1A2HSD17B10MAPK1
SCHEMBL16172718 0.87 CCNC (1.00) LMNAALDH1A1CYP1A2HSD17B10MAPK1
Hydrochloric Acid SCHEMBL31244865 0.86 CCNC (0.98) LMNAALDH1A1CYP1A2HSD17B10MAPK1
SCHEMBL19117833 0.82 CCNC (0.66) LMNAALDH1A1CYP1A2HSD17B10MAPK1
SCHEMBL17845927 0.81 LMNA (1.00) LMNAALDH1A1CYP1A2HSD17B10MAPK1
SCHEMBL7503174 0.80 PDE5A (0.62) LMNAALDH1A1CYP1A2HSD17B10MAPK1
SCHEMBL1734678 0.80 LMNA (0.72) LMNAALDH1A1CYP1A2HSD17B10MAPK1
SCHEMBL9921364 0.80 LMNA (0.72) LMNAALDH1A1CYP1A2HSD17B10MAPK1
SCHEMBL21750414 0.79 CCNC (0.77) LMNAALDH1A1CYP1A2HSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615636-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER INC. (US) 2006-01-18 EP disclosed
WO-2004089366-A1 BICYCLIC COMPOUNDS AS NR2B RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2004-10-21 WO disclosed
US-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists ANDO KAZUO (JP) 2004-10-14 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 (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-20040204409-A1 Bicyclic compounds as NR2B receptor antagonists GRIN1, GRIN2B, GRIN2A LMNA 3923/4885ALDH1A1 1871/4885CYP1A2 1408/4885

“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.