SCHEMBL15918199

SCHEMBL15918199

Cn1c(=O)c2c(Cc3ccccc3C(F)(F)F)cc(=O)[nH]c2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
SLC16A1 P53985 12/20 0.43
ALDH1A1 P00352 1/20 0.41
PARG Q86W56 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL15917811 0.80 PDE3B (0.46) PDE3BPDE3AALDH1A1PARG
SCHEMBL15917791 0.80 PDE3B (0.72) PDE3BPDE3ASLC16A1ALDH1A1PARG
SCHEMBL29195792 0.66 AR (0.45) ALDH1A1
SCHEMBL6642119 0.65 SLC16A1 (0.70) SLC16A1
SCHEMBL28575927 0.65 EPHX2 (0.49) ALDH1A1
SCHEMBL13729285 0.64 PDE2A (0.53)
SCHEMBL15918077 0.64 PDE3B (1.00) PDE3BPDE3AALDH1A1
SCHEMBL28043745 0.63 KMT2A (0.46) ALDH1A1TP53
SCHEMBL10505582 0.62 ADORA3 (0.50) TP53
SCHEMBL15930074 0.62 PDE3B (0.78) PDE3BPDE3AALDH1A1

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-9242982-B2 Pyridopyrimidine based derivatives as potential phosphodiesterase 3 (PDE3) inhibitors and a process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-01-26 US disclosed
US-20140221651-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-07 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-20140221651-A1 PYRIDOPYRIMIDINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTERASE 3 (PDE3) INHIBITORS AND A PROCESS FOR THE PREPARATION THEREOF PDE3A, PDE3B, PDE5A PDE3B 2/4885PDE3A 1/4885SLC16A1 4094/4885

“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.