SCHEMBL9913995

SCHEMBL9913995

CCOC(=O)Cc1cnc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.51
BUB1 O43683 1/20 0.46
GUCY1A1 Q02108 1/20 0.45
GUCY1B1 Q02153 1/20 0.45

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
SCHEMBL9914159 0.91 PDE5A (0.51) PDE5AGUCY1A1GUCY1B1
SCHEMBL29859508 0.91 PDE5A (0.51) PDE5AGUCY1A1GUCY1B1
SCHEMBL9913941 0.89 PDE5A (0.62) PDE5ABUB1GUCY1A1GUCY1B1
SCHEMBL16244657 0.88 PDE5A (0.57) PDE5AGUCY1A1GUCY1B1
SCHEMBL28809064 0.85 PDE5A (0.51) PDE5AGUCY1A1GUCY1B1
SCHEMBL9913928 0.84 PDE5A (0.52) PDE5ABUB1
SCHEMBL29859541 0.83 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1
SCHEMBL28810091 0.83 PDE5A (0.56) PDE5AGUCY1A1GUCY1B1
SCHEMBL9913926 0.83 PDE5A (0.55) PDE5ABUB1
SCHEMBL28809054 0.82 GUCY1A1 (0.52) PDE5ABUB1GUCY1A1GUCY1B1

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 6 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-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
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 1379/4885BUB1 866/4885GUCY1A1 2620/4885

“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.