SCHEMBL326432

SCHEMBL326432

CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nc(I)c21

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.79
GUCY1A1 Q02108 1/20 0.61
GUCY1B1 Q02153 1/20 0.61

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
SCHEMBL14746677 0.94 PDE5A (0.71) PDE5A
SCHEMBL19480642 0.91 PDE5A (0.81) PDE5A
SCHEMBL15996237 0.90 PDE5A (0.69) PDE5AGUCY1A1GUCY1B1
SCHEMBL15944485 0.90 PDE5A (0.65) PDE5A
SCHEMBL14746369 0.90 PDE5A (0.79) PDE5AGUCY1A1GUCY1B1
SCHEMBL9913933 0.90 PDE5A (0.82) PDE5AGUCY1A1GUCY1B1
SCHEMBL16276120 0.89 PDE5A (0.86) PDE5A
SCHEMBL15120909 0.89 PDE5A (1.00) PDE5AGUCY1A1GUCY1B1
SCHEMBL14746378 0.89 PDE5A (0.65) PDE5A
SCHEMBL15120946 0.89 PDE5A (0.77) PDE5A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP 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-20150105374-A1 Substituted annellated pyrimidines and use thereof BAYER IP GMBH (DE) 2015-04-16 US disclosed
US-20150105374-A1 Substituted annellated pyrimidines and use thereof BAYER IP GMBH (DE) 2015-04-16 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-8859569-B2 Substituted annellated pyrimidines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-14 US disclosed
US-8859569-B2 Substituted annellated pyrimidines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-14 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-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 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-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 (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-20140350020-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES TYMS, DHFR, DPYD PDE5A 1379/4885GUCY1A1 2620/4885GUCY1B1 1071/4885
US-20150105374-A1 Substituted annellated pyrimidines and use thereof TYMS, TYMP, NUDT1 PDE5A 1606/4885GUCY1A1 2669/4885GUCY1B1 2119/4885

“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.