SCHEMBL16244885

SCHEMBL16244885

O=C(O)Cc1cnc(-c2nn(Cc3cccc(F)c3F)c3ncccc23)nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1A1 Q02108 4/20 0.48
▸ GUCY1B1 Q02153 4/20 0.48
▸ PDE5A O76074 14/20 0.47
▸ ADORA3 P0DMS8 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46

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
SCHEMBL16244499 0.93 PDE5A (0.55) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL16244853 0.90 GUCY1A1 (0.48) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL9913937 0.88 PDE5A (0.54) PDE5AADORA3KCNH2
SCHEMBL16244760 0.87 PDE5A (0.45) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL16458548 0.84 PDE5A (0.48) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL16244470 0.83 PDE5A (0.55) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL16244821 0.83 ADORA3 (0.63) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL16245201 0.81 PDE5A (0.56) GUCY1A1GUCY1B1PDE5A
SCHEMBL9913958 0.81 PDE5A (0.61) GUCY1A1GUCY1B1PDE5AADORA3KCNH2
SCHEMBL9914126 0.80 PDE5A (0.52) PDE5AADORA3KCNH2

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 2 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-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 (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 GUCY1A1 2620/4885GUCY1B1 1071/4885PDE5A 1379/4885

“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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