SCHEMBL4929205

SCHEMBL4929205

NC(=O)c1nn(Cc2ccccc2F)c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
ADORA3 P0DMS8 1/20 0.52
KCNH2 Q12809 1/20 0.52
PDE5A O76074 10/20 0.50
MAPT P10636 1/20 0.48
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
GUCY1A1 Q02108 3/20 0.44
GUCY1B1 Q02153 3/20 0.44
CFD P00746 1/20 0.44

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
SCHEMBL4937101 1.00 ATM (0.53) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL6068600 0.91 CFD (0.49) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL174160 0.89 ATM (0.54) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL2878097 0.88 ADORA3 (0.53) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL255820 0.88 ADORA3 (0.50) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL175370 0.88 ATM (0.53) ATMADORA3KCNH2PDE5AMAPT
Hydrochloric Acid SCHEMBL174837 0.87 ADORA3 (0.49) ATMADORA3KCNH2PDE5AMAPT
Hydrochloric Acid SCHEMBL30507586 0.87 ADORA3 (0.49) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL2883924 0.86 ADORA3 (0.46) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL8220418 0.86 ADORA3 (0.46) ATMADORA3KCNH2PDE5AMAPT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317016-B2 Methods of treating medical conditions using sulfonate-substituted pyrazolopyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-01-08 US disclosed
US-20070225299-A1 Novel Combination Containing a Stimulator of Soluble Guanylate Cyclase and a Lipid-Lowering Substance BAYER HEALTHCARE AG (DE) 2007-09-27 US disclosed
US-7135474-B2 Derivatives of 2-(1-benzyl-1H-pyrazolo(3,4-B)pyridine-3-yl)-5(-4-pyridinyl)l-4-pyrimidinamines and the use thereof as quanylate cyclase stimulators BAYER HEALTHCARE AG (DE) 2006-11-14 US disclosed
US-7115599-B2 Sulfonamide-substituted pyrazolopyridine compounds BAYER AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-7105523-B2 Carbamate-substituted pyrazolopyridine-derivatives BAYER AKTIENGESELISCHAFT (DE) 2006-09-12 US disclosed
US-20050245553-A1 Methods of treating medical conditions using sulfonate-substituted pyrazolopyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-11-03 US disclosed
EP-1102767-B1 SUBSTITUTED PYRAZOLE DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-11-02 EP disclosed
US-20050222170-A1 Derivatives of 2-(1-benzyl-1h-pyrazolo(3,4-b)pyridine-3-yl)- 5(-4-pyridiny)l-4- pyrimidinamines and the use thereof as quanylate cyclase stimulators BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 US disclosed
US-6919345-B2 Sulfonate substituted pyrazol pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-07-19 US disclosed
US-6833364-B1 Inhibiting degradation of cyclic guanosine monophosphate; cardiovascular disorders; such as 3-(4-amino-5-cyclopropyl-pyrimidin-2-yl)-1-(2-fluorobenzyl)1H-pyrazolo-(3,4 -b)-pyridine BAYER HEALTHCARE AG (DE) 2004-12-21 US disclosed
US-20040235863-A1 Morpholine-bridged pyrazolopyridine derivatives BAYER HEALTHCARE AG (DE) 2004-11-25 US disclosed
US-20040224945-A1 Novel substituted pyrazole derivatives BAYER HEALTHCARE AG (DE) 2004-11-11 US disclosed
US-20040171832-A1 Novel sulfonate substituted pyrazol pyridine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-02 US disclosed
US-6743798-B1 CARDIOVASCULAR DISORDERS; VASORELAXATION, INHIBITION OF PLATELET AGGREGATION, DECREASE IN BLOOD PRESSURE; STIMULATION OF SOLUBLE GUANYLATE CYCLASE AND AN INTRACELLULAR CGMP INCREASE BAYER AKTIENGESELLSCHAFT (DE) 2004-06-01 US disclosed
US-20040082596-A1 Novel carbamate-substituted pyrazolopyridine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-29 US disclosed
US-20040067937-A1 Novel sulfonamide-substituted pyrazolopyridine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-08 US disclosed
US-6693102-B2 CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-02-17 US disclosed
US-20020173514-A1 Pyridine-substituted pyrazolopyridine derivatives BAYER HEALTHCARE AG (DE) 2002-11-21 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 (9 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-20040224945-A1 Novel substituted pyrazole derivatives CYP11B2, CYP11B1, ADRB3 ATM 3044/4885ADORA3 260/4885KCNH2 1026/4885
US-20050245553-A1 Methods of treating medical conditions using sulfonate-substituted pyrazolopyridine derivatives PTGER3, TBXA2R, STS ATM 1076/4885ADORA3 444/4885KCNH2 346/4885
US-20070225299-A1 Novel Combination Containing a Stimulator of Soluble Guanylate Cyclase and a Lipid-Lowering Substance GUCY1A2, GUCY1B2, GUCY1B1 ATM 3510/4885ADORA3 928/4885KCNH2 2335/4885
US-20050222170-A1 Derivatives of 2-(1-benzyl-1h-pyrazolo(3,4-b)pyridine-3-yl)- 5(-4-pyridiny)l-4- pyrimidinamines and the use thereof as quanylate cyclase stimulators PDE3B, PDE5A, PDE3A ATM 2115/4885ADORA3 301/4885KCNH2 295/4885
US-20020173514-A1 Pyridine-substituted pyrazolopyridine derivatives GUCY1A1, GUCY1A2, GUCY1B1 ATM 2036/4885ADORA3 448/4885KCNH2 155/4885
US-20040082596-A1 Novel carbamate-substituted pyrazolopyridine derivatives GPR3, NOS3, NPR3 ATM 1041/4885ADORA3 160/4885KCNH2 200/4885
US-20040171832-A1 Novel sulfonate substituted pyrazol pyridine derivatives NOS3, PDE3A, GPR3 ATM 379/4885ADORA3 112/4885KCNH2 605/4885
US-20040067937-A1 Novel sulfonamide-substituted pyrazolopyridine derivatives GUCY1A2, GUCY1A1, GUCY1B2 ATM 688/4885ADORA3 318/4885KCNH2 325/4885
US-20040235863-A1 Morpholine-bridged pyrazolopyridine derivatives GUCY1A1, PDE1A, PDE3B ATM 1075/4885ADORA3 803/4885KCNH2 137/4885

“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.