SCHEMBL4947503

SCHEMBL4947503

CC1(c2cccc(C#CCN3C(=O)c4ccccc4C3=O)c2)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
DRD5 P21918 1/20 0.39
P2RY6 Q15077 1/20 0.39
PTAFR P25105 9/20 0.39
GRM5 P41594 2/20 0.38
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 3/20 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
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL4945517 0.75 TDP1 (0.49)
SCHEMBL10422970 0.73 SMN1; SMN2 (0.48) ADRA2AADRA2BDRD5P2RY6GRM5
SCHEMBL30006541 0.73 RAB9A (0.48) ADRA2AADRA2BDRD5P2RY6PTAFR
SCHEMBL8803206 0.73 MMP2 (0.53) GRM5MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL8902954 0.71 RXFP1 (0.46) ADRA2AADRA2BDRD5P2RY6PTAFR
SCHEMBL4943682 0.71 PTAFR (0.42) ADRA2AADRA2BDRD5P2RY6PTAFR
SCHEMBL3508331 0.68 ICMT (0.43) MAPTGAASMN1; SMN2TSHRMAPK1
SCHEMBL29793755 0.68 ICMT (0.43) MAPTGAASMN1; SMN2TSHRMAPK1
SCHEMBL8804261 0.68 RARA (0.38) ADRA2AADRA2BDRD5P2RY6PTAFR
SCHEMBL27410849 0.67 ADRA2A (0.42) ADRA2AADRA2BDRD5P2RY6PTAFR

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 ADRA2A 137/4885ADRA2B 124/4885DRD5 1512/4885

“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.