SCHEMBL326509

SCHEMBL326509

N#Cc1nn(Cc2cccc(F)c2F)c2ncc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.42
PKM P14618 1/20 0.37
PKLR P30613 1/20 0.37

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
SCHEMBL174450 0.91 PDE5A (0.49) PDE5APKMPKLR
SCHEMBL2881224 0.83 PDE5A (0.42) PDE5A
SCHEMBL322043 0.83 PDE5A (0.42) PDE5APKMPKLR
SCHEMBL9913978 0.83 PDE5A (0.35) PDE5A
SCHEMBL14744165 0.82 PDE5A (0.38) PDE5A
SCHEMBL326743 0.82 PDE5A (0.44) PDE5APKMPKLR
SCHEMBL14743417 0.81 PDE5A (0.36) PDE5A
SCHEMBL16370487 0.81 PDE5A (0.53) PDE5APKMPKLR
SCHEMBL28809625 0.81 ALDH1A1 (0.45) PDE5A
SCHEMBL19407953 0.81 PDE5A (0.53) PDE5APKM

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 15 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-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
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
EP-2708539-A1 Annulated pyrimidines and triazines and their use Bayer Intellectual Property GmbH (DE) 2014-03-19 EP disclosed
EP-2708539-A1 Annulated pyrimidines and triazines and their use Bayer Intellectual Property GmbH (DE) 2014-03-19 EP disclosed
EP-2682394-A1 1H-pyrazolo[3,4-b]pyridin-triazine derivatives and their use for the treatment or the prevention of cardiovascular diseases Bayer Intellectual Property GmbH (DE) 2014-01-08 EP disclosed
EP-2682394-A1 1H-pyrazolo[3,4-b]pyridin-triazine derivatives and their use for the treatment or the prevention of cardiovascular diseases Bayer Intellectual Property GmbH (DE) 2014-01-08 EP disclosed
EP-2590979-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES Bayer Intellectual Property GmbH (DE) 2013-05-15 EP 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-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
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 1379/4885PKM 1693/4885PKLR 1375/4885

“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.