SCHEMBL327532

SCHEMBL327532

CC1(C)C(=O)Nc2nc(-c3nn(CCC(F)(F)C(F)(F)F)c4ncc(F)cc34)nc(N)c21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GUCY1A1 Q02108 17/20 0.66
▸ GUCY1B1 Q02153 17/20 0.66
▸ PDE5A O76074 3/20 0.56

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
SCHEMBL13733662 0.90 GUCY1A1 (0.57) GUCY1A1GUCY1B1PDE5A
SCHEMBL25975483 0.89 GUCY1A1 (0.64) GUCY1A1GUCY1B1
SCHEMBL25975302 0.89 GUCY1A1 (0.64) GUCY1A1GUCY1B1
SCHEMBL25975531 0.87 GUCY1A1 (0.59) GUCY1A1GUCY1B1PDE5A
SCHEMBL25975532 0.87 GUCY1A1 (0.59) GUCY1A1GUCY1B1PDE5A
SCHEMBL25975605 0.87 GUCY1A1 (0.59) GUCY1A1GUCY1B1PDE5A
SCHEMBL25975070 0.87 GUCY1A1 (0.59) GUCY1A1GUCY1B1PDE5A
SCHEMBL25975069 0.87 GUCY1A1 (0.59) GUCY1A1GUCY1B1PDE5A
SCHEMBL25974982 0.87 GUCY1A1 (0.59) GUCY1A1GUCY1B1PDE5A
SCHEMBL327087 0.86 GUCY1A1 (0.72) GUCY1A1GUCY1B1PDE5A

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 14 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
EP-2590987-B1 CONDENSED 4-AMINOPYRIMIDINES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER IP GMBH (DE) 2016-03-09 — — 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-8765769-B2 Ring-fused 4-aminopyrimidines and use thereof as stimulators of soluable guanylate cyclases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-01 — — US disclosed
US-8765769-B2 Ring-fused 4-aminopyrimidines and use thereof as stimulators of soluable guanylate cyclases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-01 — — US disclosed
US-8765769-B2 Ring-fused 4-aminopyrimidines and use thereof as stimulators of soluable guanylate cyclases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-01 — — US disclosed
US-20140100229-A1 FLUOROALKYL-SUBSTITUTED PYRAZOLOPYRIDINES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-04-10 — — US disclosed
US-20130172372-A1 RING-FUSED 4-AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 — — US disclosed
US-20130172372-A1 RING-FUSED 4-AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 — — US disclosed
US-20130172372-A1 RING-FUSED 4-AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 — — US disclosed
WO-2012004259-A1 RING-FUSED 4 -AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-12 — — 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 (2 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-20130172372-A1 RING-FUSED 4-AMINOPYRIMIDINES AND USE THEREOF AS STIMULATORS OF SOLUABLE GUANYLATE CYCLASES GUCY1B1, GUCY1A2, GUCY1B2 GUCY1A1 4/4885GUCY1B1 1/4885PDE5A 15/4885
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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