SCHEMBL9914002

SCHEMBL9914002

C=Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(C(F)F)c1C(C)(C)C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 18/20 0.53
▸ ADORA3 P0DMS8 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ GUCY1A1 Q02108 1/20 0.42
▸ GUCY1B1 Q02153 1/20 0.42

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
SCHEMBL15519553 0.91 PDE5A (0.49) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL9913970 0.89 PDE5A (0.53) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16264700 0.81 PDE5A (0.49) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL9913945 0.80 ADORA3 (0.52) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16264773 0.80 PDE5A (0.59) PDE5AADORA3KCNH2
SCHEMBL9913972 0.80 PDE5A (0.51) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL9914119 0.78 ADORA3 (0.55) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL9913984 0.78 PDE5A (0.48) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL9913921 0.78 ADORA3 (0.54) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL9913979 0.75 PDE5A (0.65) PDE5AADORA3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216978-B2 Ring-fused pyrimidines and triazines and use thereof for the treatment and/or prophylaxis of cardiovascular diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-22 — — US disclosed
US-20140350020-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 — — US disclosed
WO-2012004258-A9 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-07 — — WO disclosed
WO-2012004258-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-12 — — WO 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-20140350020-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES TYMS, DHFR, DPYD PDE5A 1379/4885ADORA3 1578/4885KCNH2 2572/4885

“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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