SCHEMBL1944626

SCHEMBL1944626

CCn1ncc2c(Nc3ccncc3)c(C3=NOC(CC(=O)NC)(C(=O)NC)C3)cnc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.40
PDE5A O76074 2/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
NR3C1 P04150 1/20 0.32

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
SCHEMBL1944099 0.91 PDE4B (0.41) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL1944016 0.91 PDE4B (0.37) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL1943239 0.89 PDE4B (0.37) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL1945316 0.89 PDE4B (0.34) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL1944435 0.89 PDE4B (0.38) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL1944856 0.86 PDE4B (0.34) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL1943076 0.85 PDE4B (0.41) PDE4BPDE5APOLB
SCHEMBL1944026 0.85 PDE4B (0.35) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL1942906 0.85 PDE4B (0.34) PDE4BPDE5AMEN1MAPTHPGD
SCHEMBL1944813 0.85 PDE4B (0.34) PDE4BPDE5AMEN1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-06-02 US claimed
US-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-06-02 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-20110130403-A1 PYRAZOLO [3, 4-B] PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3B, PDE4B PDE4B 3/4885PDE5A 6/4885POLB 1829/4885

“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.