SCHEMBL13732654

SCHEMBL13732654

COC(=O)C(C)(C)c1nnc(-c2nn(CCC(F)(F)C(F)(F)F)c3ncccc23)nc1O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GUCY1A1 Q02108 16/20 0.45
▸ GUCY1B1 Q02153 16/20 0.45
▸ PDE5A O76074 3/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL13732186 0.87 GUCY1A1 (0.43) GUCY1A1GUCY1B1PDE5A
SCHEMBL326641 0.83 ADORA3 (0.58) PDE5AADORA3KCNH2
SCHEMBL15116977 0.82 PDE5A (0.56) GUCY1A1GUCY1B1PDE5A
SCHEMBL9913960 0.81 ADORA3 (0.51) PDE5AADORA3KCNH2
SCHEMBL9913980 0.81 ADORA3 (0.48) PDE5AADORA3KCNH2
SCHEMBL15944482 0.76 PDE5A (0.43) PDE5AADORA3KCNH2
SCHEMBL14488226 0.76 PDE5A (0.42) PDE5AADORA3KCNH2
SCHEMBL15168916 0.74 PDE5A (0.57) GUCY1A1GUCY1B1PDE5A
SCHEMBL15111512 0.72 PDE5A (0.56) PDE5AADORA3KCNH2
SCHEMBL15120877 0.72 PDE5A (0.57) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699578-B1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2016-04-20 — — EP disclosed
EP-2699578-B1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2016-04-20 — — EP disclosed
US-9090610-B2 Fluoroalkyl-substituted pyrazolopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 — — US disclosed
US-9090610-B2 Fluoroalkyl-substituted pyrazolopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 — — US disclosed
US-9090610-B2 Fluoroalkyl-substituted pyrazolopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 — — US disclosed
US-20140100229-A1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-10 — — US disclosed
EP-2699578-A1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-02-26 — — EP disclosed
WO-2012143510-A1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 — — 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-20140100229-A1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF PON1, QDPR, FABP3 GUCY1A1 2148/4885GUCY1B1 1166/4885PDE5A 304/4885

“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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