SCHEMBL16244470

SCHEMBL16244470

O=C(O)Cc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.55
ADORA3 P0DMS8 1/20 0.54
KCNH2 Q12809 1/20 0.54
GUCY1A1 Q02108 2/20 0.53
GUCY1B1 Q02153 2/20 0.53
BUB1 O43683 2/20 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
SCHEMBL16244853 0.93 GUCY1A1 (0.48) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16244821 0.91 ADORA3 (0.63) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16244516 0.90 PDE5A (0.46) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16244499 0.90 PDE5A (0.55) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16244657 0.88 PDE5A (0.57) PDE5AGUCY1A1GUCY1B1
SCHEMBL9913941 0.88 PDE5A (0.62) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16244862 0.85 PDE5A (0.51) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16244857 0.85 PDE5A (0.51) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL15519039 0.84 PDE5A (0.56) PDE5AADORA3KCNH2GUCY1A1GUCY1B1
SCHEMBL16244626 0.84 ADORA3 (0.55) PDE5AADORA3KCNH2GUCY1A1GUCY1B1

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 5 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-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-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

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 PDE5A 1225/4885ADORA3 1176/4885KCNH2 1311/4885
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
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF TYMP, DPYD, TYMS PDE5A 1705/4885ADORA3 724/4885KCNH2 2585/4885

“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.