SCHEMBL9913936

SCHEMBL9913936

CCOC(=O)Cc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ PDE5A O76074 13/20 0.62
▸ GUCY1A1 Q02108 4/20 0.53
▸ GUCY1B1 Q02153 4/20 0.53
▸ BUB1 O43683 1/20 0.49

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
SCHEMBL9913941 0.92 PDE5A (0.62) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL9913958 0.91 PDE5A (0.61) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL16264773 0.89 PDE5A (0.59) ADORA3KCNH2PDE5ABUB1
SCHEMBL175083 0.88 ADORA3 (0.62) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL16244821 0.88 ADORA3 (0.63) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL7835258 0.87 ADORA3 (0.65) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14362945 0.87 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL15579997 0.86 PDE5A (0.57) ADORA3KCNH2PDE5ABUB1
SCHEMBL5484675 0.85 ADORA3 (0.68) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL9913926 0.85 PDE5A (0.55) ADORA3KCNH2PDE5ABUB1

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 14 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-9505786-B2 Substituted annulated triazines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-29 — — 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-20150274754-A1 SUBSTITUTED ANNULATED TRIAZINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-01 — — 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
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-04 — — 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-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
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 (3 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-20140350020-A1 RING-FUSED PYRIMIDINES AND TRIAZINES AND USE THEREOF FOR THE TREATMENT AND/OR PROPHYLAXIS OF CARDIOVASCULAR DISEASES TYMS, DHFR, DPYD ADORA3 1578/4885KCNH2 2572/4885PDE5A 1379/4885
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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