SCHEMBL2878455

SCHEMBL2878455

NC(=NO)c1nn(Cc2cccc(F)c2F)c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.40
ADORA3 P0DMS8 1/20 0.39
KCNH2 Q12809 1/20 0.39
AURKA O14965 1/20 0.39
PDPK1 O15530 1/20 0.39
RPS6KB1 P23443 1/20 0.39
CFD P00746 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36
GUCY1A1 Q02108 1/20 0.36
GUCY1B1 Q02153 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
SCHEMBL8221670 1.00 PDE5A (0.40) PDE5AADORA3KCNH2AURKAPDPK1
SCHEMBL2878454 1.00 PDE5A (0.40) PDE5AADORA3KCNH2AURKAPDPK1
SCHEMBL8220418 0.91 ADORA3 (0.46) PDE5AADORA3KCNH2ATMKDM4E
SCHEMBL2883924 0.91 ADORA3 (0.46) PDE5AADORA3KCNH2ATMKDM4E
SCHEMBL2883926 0.91 ADORA3 (0.46) PDE5AADORA3KCNH2ATMKDM4E
SCHEMBL2878213 0.89 L3MBTL1 (0.39) PDE5AADORA3KCNH2CFDL3MBTL1
SCHEMBL2878209 0.89 L3MBTL1 (0.39) PDE5AADORA3KCNH2CFDL3MBTL1
SCHEMBL8226875 0.89 L3MBTL1 (0.39) PDE5AADORA3KCNH2CFDL3MBTL1
SCHEMBL2878089 0.87 KDM4E (0.38) PDE5AADORA3KCNH2CFDATM
SCHEMBL8229309 0.87 KDM4E (0.38) PDE5AADORA3KCNH2CFDATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
EP-2013205-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES Bayer HealthCare AG (DE) 2009-01-14 EP disclosed
WO-2007124854-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES BAYER HEALTHCARE AG (DE) 2007-11-08 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-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses AADAC, CYP11B2, PC PDE5A 984/4885ADORA3 492/4885KCNH2 2269/4885

“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.