SCHEMBL4943682

SCHEMBL4943682

CC(C)(O)c1cccc(C#CCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 9/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
DRD5 P21918 1/20 0.41
P2RY6 Q15077 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HSD17B13 Q7Z5P4 1/20 0.37
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
DRD3 P35462 1/20 0.35

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 0.77 SMN1; SMN2 (0.48) ADRA2AADRA2BDRD5P2RY6ALDH1A1
SCHEMBL30006541 0.77 RAB9A (0.48) PTAFRADRA2AADRA2BDRD5P2RY6
SCHEMBL8803206 0.76 MMP2 (0.53) ALDH1A1MMP2MMP9POLBSMN1; SMN2
SCHEMBL8902954 0.75 RXFP1 (0.46) PTAFRADRA2AADRA2BDRD5P2RY6
SCHEMBL4945953 0.73 TDP1 (0.54) ALDH1A1
SCHEMBL2205436 0.72 L3MBTL1 (0.42) PTAFRADRA2AADRA2BDRD5P2RY6
SCHEMBL30006416 0.71 ADRA2A (0.43) PTAFRADRA2AADRA2BDRD5P2RY6
SCHEMBL4947503 0.71 ADRA2A (0.39) PTAFRADRA2AADRA2BDRD5P2RY6
SCHEMBL27410849 0.71 ADRA2A (0.42) PTAFRADRA2AADRA2BDRD5P2RY6
SCHEMBL4940343 0.69 ADRA1D (0.43) PTAFRADRA2AADRA2BDRD5P2RY6

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 PTAFR 1810/4885ADRA2A 137/4885ADRA2B 124/4885

“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.