SCHEMBL4036183

SCHEMBL4036183

CCCc1nn(C)c2c(Nc3cccnn3)nc(Cl)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.39
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE1C Q14123 1/20 0.35
TERT O14746 1/20 0.34
GRM5 P41594 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MTOR P42345 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5435892 0.81 PDE5A (0.40) PDE5APDE3BPDE3AMEN1ALDH1A1
SCHEMBL4038080 0.80 CCNA2 (0.47) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL12768683 0.80 PDE5A (0.52) PDE5A
SCHEMBL8301357 0.80 PDE5A (0.43) PDE5A
SCHEMBL4045049 0.79 CCNA2 (0.46) PDE5APDE3BPDE3AMEN1ALDH1A1
SCHEMBL4040447 0.78 PDE5A (0.41) PDE5APDE3BPDE3AMEN1ALDH1A1
SCHEMBL2857503 0.76 PDE5A (0.38) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4037512 0.76 PDE5A (0.38) PDE5APDE3BPDE3AMEN1ALDH1A1
SCHEMBL4042877 0.74 MTOR (0.39) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4042531 0.71 PDE5A (0.33) PDE5APDE3BPDE3AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 EP disclosed
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 EP disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 US disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 US disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 US disclosed
WO-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 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 (2 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-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 PDE5A 103/4885PDE3B 114/4885PDE3A 197/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 PDE5A 103/4885PDE3B 114/4885PDE3A 197/4885

“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.