SCHEMBL4040447

SCHEMBL4040447

CCCc1nn(C)c2c(Nc3ccc(C)cn3)nc(Cl)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.41
PDE10A Q9Y233 1/20 0.37
BTK Q06187 4/20 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
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CCNK O75909 1/20 0.33
CCND3 P30281 1/20 0.33
CDK9 P50750 1/20 0.33
CDK6 Q00534 1/20 0.33
MAPK1 P28482 1/20 0.33
PIK3CA P42336 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33

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
SCHEMBL8301357 0.84 PDE5A (0.43) PDE5A
SCHEMBL4038080 0.83 CCNA2 (0.47) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL12768723 0.82 PDE5A (0.53) PDE5ACCNKCCND3CDK9CDK6
SCHEMBL12768650 0.82 PDE5A (0.53) PDE5A
SCHEMBL4045049 0.81 CCNA2 (0.46) PDE5APDE10AMEN1ALDH1A1HPGD
SCHEMBL12768644 0.80 PDE5A (0.65) PDE5A
SCHEMBL12840887 0.80 PDE5A (0.42) PDE5APDE10AMEN1ALDH1A1HPGD
SCHEMBL8234843 0.79 PDE5A (0.51) PDE5A
SCHEMBL5435892 0.78 PDE5A (0.40) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4036183 0.78 PDE5A (0.39) PDE5AMEN1ALDH1A1HPGDPDE1A

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
CN-1780841-A 5,7-diaminopyrazolo[4,3-d]pyrimidines useful in the traetment of hypertension PFIZER LTD (GB) 2006-05-31 CN disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 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 (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 103/4885PDE10A 107/4885BTK 1206/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 PDE5A 103/4885PDE10A 107/4885BTK 1206/4885

“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.