SCHEMBL6708992

SCHEMBL6708992

CCCc1nn(C)c2c(NCc3ccccc3)nc(CCCC(=O)O)nc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
PDE5A O76074 4/20 0.42
CDK1 P06493 3/20 0.42
CCNB1 P14635 3/20 0.42
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL6710407 0.97 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6710419 0.94 PDE5A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6711861 0.93 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6707012 0.92 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6708945 0.89 FFAR1 (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6708871 0.89 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6707575 0.87 PDE5A (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6763429 0.87 FFAR1 (0.42) FFAR1
SCHEMBL6708755 0.87 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6707585 0.86 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777419-B1 EXHIBIT PHOSPHODIESTERASE V INHIBITION AND CAN BE EMPLOYED FOR THE TREATMENT OF DISORDERS OF THE CARDIOVASCULAR SYSTEM OR ERECTILE DYSFUNCTION MERCK PATENT GMBH (DE) 2004-08-17 US disclosed
US-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates MERCK PATENT GMBH (DE) 2004-04-22 US disclosed
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
US-20040063730-A1 Pharmacuetical formulation comprising puyrazolo[4,-3-d]pyrimidines and antithrombotics, calcium antagonists, or prostaglandins or prostaglandin derivatives MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
US-20040023990-A1 Use of pyrazolo[4,3-d]pyrimidines MERCK PATENT GMBH (DE) 2004-02-05 US disclosed
US-20040023991-A1 Use of pyrazolo[4,3-d]pyrimidines MERCK PATENT GMBH (DE) 2004-02-05 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 (5 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-20040077664-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidine and nitrates or thienopyrimidines and nitrates PTGIS, DPYD, PTGIR PDE4A 26/4885PDE4B 29/4885PDE4C 53/4885
US-20040023990-A1 Use of pyrazolo[4,3-d]pyrimidines P2RX3, HRH2, HRH4 PDE4A 285/4885PDE4B 498/4885PDE4C 765/4885
US-20040063731-A1 Pharmaceutical formulation comprising pyrazolo[4,3-d]pyrimidines and endothelin receptor antagonists or thienopyrimidines and endothelin receptor antagonists EDNRA, EDNRB, PTGIR PDE4A 28/4885PDE4B 43/4885PDE4C 86/4885
US-20040023991-A1 Use of pyrazolo[4,3-d]pyrimidines DPYD, TYMP, PNPO PDE4A 675/4885PDE4B 1005/4885PDE4C 970/4885
US-20040063730-A1 Pharmacuetical formulation comprising puyrazolo[4,-3-d]pyrimidines and antithrombotics, calcium antagonists, or prostaglandins or prostaglandin derivatives PTGIS, PTGIR, PTGER1 PDE4A 357/4885PDE4B 645/4885PDE4C 748/4885

“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.