SCHEMBL4940343

SCHEMBL4940343

N#Cc1ccc(C#CCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 2/20 0.43
NR1H3 Q13133 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
DRD5 P21918 1/20 0.42
P2RY6 Q15077 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MMP3 P08254 1/20 0.41
PTAFR P25105 4/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL10422970 0.86 SMN1; SMN2 (0.48) CA12CA9ADRA2AADRA2BDRD5
SCHEMBL26132228 0.80 ADRA2A (0.40) MMP2MMP9CA12CA9ADRA2A
SCHEMBL30475419 0.80 RAB9A (0.58) NR1H3POLBGAANPSR1
SCHEMBL25262425 0.80 RAB9A (0.58) NR1H3POLBGAANPSR1
SCHEMBL5784952 0.77 ADRA1D (0.64) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL27410849 0.76 ADRA2A (0.42) CA12CA9ADRA2AADRA2BDRD5
SCHEMBL6787898 0.76 PTAFR (0.41) ADRA2AADRA2BDRD5P2RY6ALDH1A1
SCHEMBL4944552 0.75 TDP1 (0.60) ADRA1DADRA1AADRA1BMMP2MMP9
SCHEMBL1357288 0.75 CA12 (0.51) CA12CA9ALDH1A1
SCHEMBL29842458 0.75 CA12 (0.51) CA12CA9ALDH1A1

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
EP-1697356-B1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PROD INC (US) 2008-02-27 EP disclosed
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PFIZER INC. 2007-06-14 US disclosed
EP-1697356-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS Pfizer Products Incorporated (US) 2006-09-06 EP disclosed
WO-2005061497-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-07-07 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-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PDE12, PDE2A, PDE3A ADRA1D 193/4885ADRA1A 381/4885ADRA1B 259/4885

“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.