SCHEMBL13733438

SCHEMBL13733438

COC(=O)C(C)(C)c1nnc(-c2nn(Cc3ccc(OC)cc3)c3ncc(F)cc23)nc1O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 13/20 0.58
▸ BUB1 O43683 4/20 0.40
▸ AKR1C3 P42330 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL14488292 0.89 PDE5A (0.45) PDE5A
SCHEMBL16370319 0.87 PDE5A (0.45) PDE5ABUB1AKR1C3
SCHEMBL14488226 0.86 PDE5A (0.42) PDE5A
SCHEMBL326700 0.85 PDE5A (0.55) PDE5A
SCHEMBL9913987 0.85 PDE5A (0.42) PDE5A
SCHEMBL9913940 0.85 PDE5A (0.49) PDE5A
SCHEMBL15937547 0.85 PDE5A (0.41) PDE5ABUB1
SCHEMBL15944482 0.84 PDE5A (0.43) PDE5A
SCHEMBL9914040 0.84 PDE5A (0.51) PDE5A
SCHEMBL15937792 0.84 PDE5A (0.45) PDE5A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729476-B1 HETEROARYL SUBSTITUTED PYRAZOLOPYRIDINES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER IP GMBH (DE) 2017-08-23 — — EP 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
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-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-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 — — US disclosed
US-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 — — US disclosed
US-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 — — 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 (4 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 1225/4885BUB1 1036/4885AKR1C3 2571/4885
US-20140228366-A1 HETEROARYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF AS SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A2, GUCY1B2, GUCY1B1 PDE5A 8/4885BUB1 4674/4885AKR1C3 1950/4885
US-20140100229-A1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF PON1, QDPR, FABP3 PDE5A 304/4885BUB1 2184/4885AKR1C3 1840/4885
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF TYMP, DPYD, TYMS PDE5A 1705/4885BUB1 595/4885AKR1C3 2602/4885

“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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