SCHEMBL1970899

SCHEMBL1970899

CCCOCCn1c(=O)c(N2CCN([C@H](C)[C@@H](C)O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
KCNH2 Q12809 5/20 1.00
PDE6A P16499 9/20 0.69

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
SCHEMBL1970594 1.00 PDE5A (1.00) PDE5AKCNH2PDE6A
SCHEMBL12583685 0.92 PDE5A (0.84) PDE5AKCNH2PDE6A
SCHEMBL1970611 0.89 PDE5A (1.00) PDE5AKCNH2PDE6A
SCHEMBL1970610 0.89 PDE5A (1.00) PDE5AKCNH2PDE6A
SCHEMBL1971462 0.89 PDE5A (1.00) PDE5AKCNH2PDE6A
SCHEMBL1970001 0.88 PDE5A (0.78) PDE5AKCNH2PDE6A
SCHEMBL1971532 0.88 PDE5A (1.00) PDE5AKCNH2PDE6A
Pf-03049423 SCHEMBL1969224 0.87 PDE5A (1.00) PDE5AKCNH2PDE6A
Pf-03049423 SCHEMBL29357029 0.87 PDE5A (1.00) PDE5AKCNH2PDE6A
Pf-03049423 SCHEMBL29766850 0.87 PDE5A (1.00) PDE5AKCNH2PDE6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013208-B1 PYRIDIN[3,4-B]PYRAZINONES PFIZER PROD INC (US) 2011-06-22 EP claimed
US-7902195-B2 Pyridine [3,4-b] pyrazinones PHARMACIA & UPJOHN COMPANY LLC (US) 2011-03-08 US claimed
EP-2013208-A1 PYRIDIN[3,4-B]PYRAZINONES Pfizer Products Inc. (US) 2009-01-14 EP claimed
WO-2007122466-A1 PYRIDINE[3,4-B]PYRAZINONES PFIZER PRODUCTS INC. (US) 2007-11-01 WO claimed
US-20070249615-A1 Pyridine [3,4-b] Pyrazinones PFIZER INC 2007-10-25 US claimed
EP-2013208-B1 PYRIDIN[3,4-B]PYRAZINONES PFIZER PROD INC (US) 2011-06-22 EP disclosed
US-7902195-B2 Pyridine [3,4-b] pyrazinones PHARMACIA & UPJOHN COMPANY LLC (US) 2011-03-08 US disclosed
US-7902195-B2 Pyridine [3,4-b] pyrazinones PHARMACIA & UPJOHN COMPANY LLC (US) 2011-03-08 US disclosed
US-7902195-B2 Pyridine [3,4-b] pyrazinones PHARMACIA & UPJOHN COMPANY LLC (US) 2011-03-08 US disclosed
US-20070249615-A1 Pyridine [3,4-b] Pyrazinones PFIZER INC 2007-10-25 US disclosed
US-20070249615-A1 Pyridine [3,4-b] Pyrazinones PFIZER INC 2007-10-25 US disclosed
US-20070249615-A1 Pyridine [3,4-b] Pyrazinones PFIZER INC 2007-10-25 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 (1 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-20070249615-A1 Pyridine [3,4-b] Pyrazinones CYP2B6, CYP2D6, CYP4B1 PDE5A 608/4885KCNH2 411/4885PDE6A 310/4885

“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.