SCHEMBL16267566

SCHEMBL16267566

COC(=O)CC(C)(C(=O)O)c1nnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ PDE5A O76074 14/20 0.52
▸ GUCY1A1 Q02108 4/20 0.46
▸ GUCY1B1 Q02153 4/20 0.46

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
SCHEMBL15111627 0.91 PDE5A (0.55) ADORA3KCNH2PDE5A
SCHEMBL326641 0.87 ADORA3 (0.58) ADORA3KCNH2PDE5A
SCHEMBL15120862 0.84 ADORA3 (0.52) ADORA3KCNH2PDE5A
SCHEMBL15111716 0.83 PDE5A (0.56) ADORA3KCNH2PDE5A
SCHEMBL15111795 0.82 PDE5A (0.54) ADORA3KCNH2PDE5A
SCHEMBL15111726 0.81 PDE5A (0.59) ADORA3KCNH2PDE5A
SCHEMBL9913960 0.81 ADORA3 (0.51) ADORA3KCNH2PDE5A
SCHEMBL16276125 0.81 PDE5A (0.55) ADORA3KCNH2PDE5A
SCHEMBL15111665 0.80 PDE5A (0.55) ADORA3KCNH2PDE5A
SCHEMBL9913980 0.79 ADORA3 (0.48) ADORA3KCNH2PDE5A

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
US-9505786-B2 Substituted annulated triazines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-29 — — US disclosed
US-20150274754-A1 SUBSTITUTED ANNULATED TRIAZINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-01 — — US disclosed
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-04 — — 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-20150274754-A1 SUBSTITUTED ANNULATED TRIAZINES AND USE THEREOF TPMT, GOT2, TYMP ADORA3 1176/4885KCNH2 1311/4885PDE5A 1225/4885
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF TYMP, DPYD, TYMS ADORA3 724/4885KCNH2 2585/4885PDE5A 1705/4885

“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.

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