Sugi Predict

Sugi Predict / Compounds / SCHEMBL4039868

SCHEMBL4039868

SCHEMBL4039868

Cc1ccnc(Nc2nc(N3CCC(C(=O)O)CC3)nc3c(C)nn(CCOCC(F)(F)F)c23)c1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.84
▸ KCNH2 Q12809 3/20 0.72

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
SCHEMBL4044735 0.92 PDE5A (0.76) PDE5AKCNH2
SCHEMBL4039875 0.91 PDE5A (0.74) PDE5AKCNH2
SCHEMBL4039428 0.89 PDE5A (0.66) PDE5AKCNH2
SCHEMBL8262377 0.88 PDE5A (0.85) PDE5AKCNH2
SCHEMBL8263385 0.86 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5243728 0.86 PDE5A (0.63) PDE5AKCNH2
SCHEMBL5245676 0.85 PDE5A (0.61) PDE5AKCNH2
SCHEMBL1527722 0.84 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5247815 0.82 PDE5A (0.59) PDE5AKCNH2
SCHEMBL5325370 0.82 PDE5A (0.59) PDE5AKCNH2

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 23 patents — showing the first 20. 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 claimed
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 — — EP claimed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 — — US claimed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 — — US claimed
US-8518956-B2 1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-ylamino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl) piperidine-4-carboxylic acid and salts thereof PHARMACIA & UPJOHN COMPANY LLC (US) 2013-08-27 — — US disclosed
US-8518956-B2 1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-ylamino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl) piperidine-4-carboxylic acid and salts thereof PHARMACIA & UPJOHN COMPANY LLC (US) 2013-08-27 — — US disclosed
US-20110059993-A1 1-(1-(2-Ethoxyethyl)-3-Ethyl-7-(4-Methylpyridin-2-Ylamino)-1H-Pyrazolo[4,3-D]Pyrimidin-5-YL) Piperidine-4-Carboxylic Acid And Salts Thereof PFIZER INC. 2011-03-10 — — US disclosed
US-20110059993-A1 1-(1-(2-Ethoxyethyl)-3-Ethyl-7-(4-Methylpyridin-2-Ylamino)-1H-Pyrazolo[4,3-D]Pyrimidin-5-YL) Piperidine-4-Carboxylic Acid And Salts Thereof PFIZER INC. 2011-03-10 — — US disclosed
US-20090156618-A1 1-(1- (2-Ethoxyethyl)-3-Ethyl-7-(4-Methylpyridin-2-Ylamino) - 1H-Pyrazolo [4,3-D] Pyrimidin-5-YL) Piperidine-4-Carboxylic acid and salts thereof PFIZER INC 2009-06-18 — — US disclosed
US-20090156618-A1 1-(1- (2-Ethoxyethyl)-3-Ethyl-7-(4-Methylpyridin-2-Ylamino) - 1H-Pyrazolo [4,3-D] Pyrimidin-5-YL) Piperidine-4-Carboxylic acid and salts thereof PFIZER INC 2009-06-18 — — US 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
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 — — EP 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
WO-2007054778-A1 PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)DERIVATIVE USED AS PDE5 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-05-18 — — WO disclosed
US-7022850-B2 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB CO. (US) 2006-04-04 — — US disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 — — US disclosed
US-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY 2004-12-02 — — 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 (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-20110059993-A1 1-(1-(2-Ethoxyethyl)-3-Ethyl-7-(4-Methylpyridin-2-Ylamino)-1H-Pyrazolo[4,3-D]Pyrimidin-5-YL) Piperidine-4-Carboxylic Acid And Salts Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPMT, CYP3A7 PDE5A 681/4885KCNH2 808/4885
US-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 PDE5A 103/4885KCNH2 2253/4885
US-20040242596-A1 Bicyclicpyrimidones and their use to treat diseases CCNB1, CCNB2, CCNI PDE5A 4618/4885KCNH2 4267/4885
US-20090156618-A1 1-(1- (2-Ethoxyethyl)-3-Ethyl-7-(4-Methylpyridin-2-Ylamino) - 1H-Pyrazolo [4,3-D] Pyrimidin-5-YL) Piperidine-4-Carboxylic acid and salts thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPMT, CYP3A7 PDE5A 681/4885KCNH2 808/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 PDE5A 103/4885KCNH2 2253/4885

“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.