SCHEMBL15944481

SCHEMBL15944481

N=C(N)c1nn(Cc2ncccn2)c2ncc(F)cc12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.34
GRIN2B Q13224 4/20 0.34
PDE5A O76074 2/20 0.31

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
Acetic Acid SCHEMBL15937721 0.93 GRIN1 (0.35) GRIN1GRIN2BPDE5A
SCHEMBL14488340 0.87 GRIN1 (0.32) GRIN1GRIN2BPDE5A
SCHEMBL14746871 0.85 PDE5A (0.35) PDE5A
SCHEMBL25975309 0.83 PDE5A (0.37) PDE5A
SCHEMBL31120382 0.83 PDE5A (0.37) PDE5A
SCHEMBL29859628 0.82 PDE5A (0.46) PDE5A
SCHEMBL9913932 0.82 PDE5A (0.46) PDE5A
SCHEMBL15937438 0.81 GRIN1 (0.34) GRIN1GRIN2BPDE5A
SCHEMBL15944483 0.81 PDE5A (0.30) PDE5A
Hydrochloric Acid SCHEMBL14990786 0.81 PDE5A (0.45) PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729476-B1 HETEROARYL SUBSTITUTED PYRAZOLOPYRIDINES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER IP GMBH (DE) 2017-08-23 EP disclosed
US-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 US disclosed
US-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 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-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A2, GUCY1B2, GUCY1B1 GRIN1 3030/4885GRIN2B 3045/4885PDE5A 8/4885

“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.