SCHEMBL2880696

SCHEMBL2880696

N#Cc1nn(Cc2cc(Cl)ccc2F)c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.40
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARG P37231 1/20 0.38
PDE5A O76074 6/20 0.38
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL2881342 0.89 ELANE (0.41) ELANEMAPTTP53L3MBTL1PDE5A
SCHEMBL30745084 0.85 PDE5A (0.48) ELANEMAPTPDE5AADORA3KCNH2
SCHEMBL174888 0.85 PDE5A (0.48) ELANEMAPTPDE5AADORA3KCNH2
SCHEMBL2877930 0.82 ELANE (0.41) ELANEMAPTL3MBTL1PDE5A
SCHEMBL2881224 0.81 PDE5A (0.42) ELANEMAPTL3MBTL1PDE5A
SCHEMBL6068638 0.81 MAPT (0.47) ELANEMAPTL3MBTL1
SCHEMBL2882941 0.79 ELANE (0.44) ELANEMAPTL3MBTL1PDE5A
SCHEMBL20140374 0.79 L3MBTL1 (0.49) ELANEMAPTTP53L3MBTL1
SCHEMBL20140434 0.79 L3MBTL1 (0.46) ELANEMAPTTP53L3MBTL1
SCHEMBL20140295 0.79 ELANE (0.44) ELANEMAPTL3MBTL1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113507-A1 3-Tetrazolyl Indazoles, 3-Tetrazolyl Pyrazolopyridines, and use Thereof BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
US-20100113507-A1 3-Tetrazolyl Indazoles, 3-Tetrazolyl Pyrazolopyridines, and use Thereof BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
US-20100113507-A1 3-Tetrazolyl Indazoles, 3-Tetrazolyl Pyrazolopyridines, and use Thereof BAYER HEALTHCARE AG (DE) 2010-05-06 US disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
EP-2024361-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF Bayer HealthCare AG (DE) 2009-02-18 EP disclosed
EP-2013205-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES Bayer HealthCare AG (DE) 2009-01-14 EP disclosed
WO-2007128454-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-11-15 WO disclosed
WO-2007128454-A1 3-TETRAZOLYL INDAZOLES, 3-TETRAZOLYL PYRAZOLOPYRIDINES, AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-11-15 WO disclosed
WO-2007124854-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES BAYER HEALTHCARE AG (DE) 2007-11-08 WO 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 (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-20100113507-A1 3-Tetrazolyl Indazoles, 3-Tetrazolyl Pyrazolopyridines, and use Thereof TNNI3, FABP3, PPIP5K2 ELANE 3059/4885MAPT 3163/4885TP53 3733/4885
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses AADAC, CYP11B2, PC ELANE 2397/4885MAPT 4591/4885TP53 2202/4885

“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.