SCHEMBL12768697

SCHEMBL12768697

COCCNc1nc(Nc2cc(C)ccn2)c2c(n1)c(C)nn2CCOC

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.61
KCNH2 Q12809 1/20 0.58

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
SCHEMBL12768700 0.88 PDE5A (0.55) PDE5AKCNH2
SCHEMBL12768704 0.85 PDE5A (0.56) PDE5AKCNH2
SCHEMBL4701111 0.81 PDE5A (0.68) PDE5AKCNH2
SCHEMBL12768668 0.81 PDE5A (0.48) PDE5AKCNH2
SCHEMBL4703074 0.81 PDE5A (0.61) PDE5AKCNH2
SCHEMBL4040505 0.80 PDE5A (0.57) PDE5AKCNH2
SCHEMBL12768599 0.80 PDE5A (0.64) PDE5AKCNH2
SCHEMBL12768844 0.79 PDE5A (0.84) PDE5AKCNH2
SCHEMBL4701226 0.77 PDE5A (0.61) PDE5AKCNH2
SCHEMBL8242984 0.76 PDE5A (0.67) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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-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

“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.