SCHEMBL1945359

SCHEMBL1945359

CCn1ncc2c(Nc3cccnc3)c(C3=NOC(CC(N)=O)(C(N)=O)C3)cnc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
CDK4 P11802 1/20 0.32
CCND1 P24385 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
SCHEMBL1943076 0.91 PDE4B (0.41) PDE4B
SCHEMBL1944054 0.90 PDE4B (0.40) PDE4BMAPT
SCHEMBL1942824 0.89 PDE4B (0.40) PDE4BMAPT
SCHEMBL1943542 0.88 PDE4B (0.38) PDE4BMAPT
SCHEMBL1945375 0.86 PDE4B (0.39) PDE4BMAPT
SCHEMBL1944099 0.86 PDE4B (0.41) PDE4BALDH1A1LMNAMAPTPIK3CA
SCHEMBL1944112 0.83 PDE4B (0.38) PDE4BMAPT
SCHEMBL1945349 0.83 PDE4B (0.40) PDE4BMAPT
SCHEMBL1471521 0.83 PDE4B (0.52) PDE4B
SCHEMBL1943437 0.82 PDE4B (0.38) PDE4BMAPT

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 3/4885ALDH1A1 895/4885LMNA 4822/4885

“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.