SCHEMBL13733866

SCHEMBL13733866

CC1(C(=O)NC2CC2)C(=O)Nc2nc(-c3nn(CCC(F)(F)C(F)(F)F)c4ncccc34)ncc21

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.89
▸ GUCY1A1 Q02108 15/20 0.55
▸ GUCY1B1 Q02153 15/20 0.55

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
SCHEMBL15121045 0.94 PDE5A (1.00) PDE5AGUCY1A1GUCY1B1
SCHEMBL14776560 0.88 PDE5A (0.70) PDE5AGUCY1A1GUCY1B1
SCHEMBL14776681 0.87 PDE5A (0.68) PDE5AGUCY1A1GUCY1B1
SCHEMBL13732888 0.84 PDE5A (0.72) PDE5AGUCY1A1GUCY1B1
SCHEMBL15633909 0.83 PDE5A (0.61) PDE5AGUCY1A1GUCY1B1
SCHEMBL14776728 0.83 PDE5A (0.77) PDE5AGUCY1A1GUCY1B1
SCHEMBL15120873 0.82 PDE5A (0.76) PDE5AGUCY1A1GUCY1B1
SCHEMBL14788373 0.82 PDE5A (0.70) PDE5AGUCY1A1GUCY1B1
SCHEMBL14776436 0.82 GUCY1A1 (0.66) PDE5AGUCY1A1GUCY1B1
SCHEMBL14776884 0.82 PDE5A (0.75) PDE5AGUCY1A1GUCY1B1

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 17 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-9505786-B2 Substituted annulated triazines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-29 — — US disclosed
EP-2699578-B1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF BAYER IP GMBH (DE) 2016-04-20 — — EP 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-20150274754-A1 SUBSTITUTED ANNULATED TRIAZINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-01 — — 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-9090610-B2 Fluoroalkyl-substituted pyrazolopyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 — — 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-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-04 — — 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-2013104703-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-07-18 — — WO 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 (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 1225/4885GUCY1A1 3397/4885GUCY1B1 2530/4885
US-20140100229-A1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF PON1, QDPR, FABP3 PDE5A 304/4885GUCY1A1 2148/4885GUCY1B1 1166/4885
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF TYMP, DPYD, TYMS PDE5A 1705/4885GUCY1A1 3578/4885GUCY1B1 2644/4885

“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.

Send feedback