Sugi Predict

Sugi Predict / Compounds / SCHEMBL4037933

SCHEMBL4037933

SCHEMBL4037933

CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(N3CCN[C@H](C)C3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 1.00
▸ KCNH2 Q12809 3/20 1.00

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
SCHEMBL4133246 1.00 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5244249 1.00 PDE5A (1.00) PDE5AKCNH2
SCHEMBL5245313 0.94 PDE5A (0.89) PDE5AKCNH2
SCHEMBL8262550 0.93 PDE5A (0.87) PDE5AKCNH2
SCHEMBL5244683 0.93 PDE5A (0.87) PDE5AKCNH2
SCHEMBL4037212 0.92 PDE5A (0.85) PDE5AKCNH2
SCHEMBL12768625 0.92 PDE5A (0.85) PDE5AKCNH2
SCHEMBL8261458 0.92 PDE5A (0.85) PDE5AKCNH2
SCHEMBL4039815 0.91 PDE5A (1.00) PDE5AKCNH2
SCHEMBL4462003 0.91 PDE5A (0.83) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227562-A1 Combination of a Selective Noradrenaline Reuptake Unhibitor and a PDEV Inhibitor PFIZER INC. (US) 2009-09-10 — — US claimed
EP-1620437-B1 5,7-DIAMINOPYRAZOLO¬4,3-D PYRIMIDINES USEFUL IN THE TRAETMENT OF HYPERTENSION PFIZER LTD (GB) 2009-06-17 — — EP claimed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 — — US claimed
EP-1809632-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-07-25 — — EP claimed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 — — WO 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-20090227562-A1 Combination of a Selective Noradrenaline Reuptake Unhibitor and a PDEV Inhibitor PFIZER INC. (US) 2009-09-10 — — US disclosed
EP-1948661-B1 PYRAZOLO[4,3-D]PYRIMIDIN-5-YL)DERIVATIVE USED AS PDE5 INHIBITORS PFIZER PROD INC (US) 2009-07-08 — — EP 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
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
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-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 (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-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-20090227562-A1 Combination of a Selective Noradrenaline Reuptake Unhibitor and a PDEV Inhibitor PDE4A, PDE12, PDE4B PDE5A 4/4885KCNH2 2609/4885
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.