SCHEMBL16594697

SCHEMBL16594697

Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nnc1C1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.55
KCNH2 Q12809 1/20 0.55
PDE5A O76074 12/20 0.53
GUCY1A1 Q02108 6/20 0.49
GUCY1B1 Q02153 6/20 0.49

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
SCHEMBL15111651 0.89 PDE5A (0.55) ADORA3KCNH2PDE5A
SCHEMBL27962849 0.87 ADORA3 (0.48) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL15111729 0.85 ADORA3 (0.62) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL6216180 0.85 ADORA3 (0.55) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL6219289 0.85 ADORA3 (0.54) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL6218458 0.84 ADORA3 (0.61) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL6218288 0.84 ADORA3 (0.55) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL15111839 0.83 ADORA3 (0.60) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174342 0.83 ADORA3 (0.54) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL974087 0.81 ADORA3 (0.56) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2802580-B1 SUBSTITUTED TRIAZINE DERIVATIVES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER IP GMBH (DE) 2016-07-13 EP disclosed
US-9133191-B2 Substituted triazine derivatives and use thereof as stimulators of soluble guanylate cyclase BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-15 US disclosed
US-9133191-B2 Substituted triazine derivatives and use thereof as stimulators of soluble guanylate cyclase BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-15 US disclosed
US-9133191-B2 Substituted triazine derivatives and use thereof as stimulators of soluble guanylate cyclase BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-15 US disclosed
US-20150094308-A1 SUBSTITUTED TRIAZINE DERIVATIVES AND USE THEREOF AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-02 US disclosed
US-20150094308-A1 SUBSTITUTED TRIAZINE DERIVATIVES AND USE THEREOF AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-02 US disclosed
US-20150094308-A1 SUBSTITUTED TRIAZINE DERIVATIVES AND USE THEREOF AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-02 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-20150094308-A1 SUBSTITUTED TRIAZINE DERIVATIVES AND USE THEREOF AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE GUCY1A2, GUCY1B2, GUCY1B1 ADORA3 394/4885KCNH2 1202/4885PDE5A 7/4885

“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.