SCHEMBL2883243

SCHEMBL2883243

N#Cc1nn(Cc2ccc(Cl)s2)c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
HTR6 P50406 2/20 0.36
ENPP2 Q13822 1/20 0.35
APP P05067 2/20 0.34
SNCA P37840 2/20 0.34
TP53 P04637 1/20 0.33
RET P07949 1/20 0.33
CYP11B1 P15538 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL20140783 0.79 L3MBTL1 (0.63) ELANEL3MBTL1APPSNCAKDM4E
SCHEMBL6068638 0.78 MAPT (0.47) ELANEL3MBTL1CYP11B1KDM4EALDH1A1
SCHEMBL20140381 0.76 ELANE (0.56) ELANEL3MBTL1APPSNCARET
SCHEMBL20140374 0.76 L3MBTL1 (0.49) ELANEL3MBTL1APPSNCATP53
SCHEMBL9925305 0.74 ELANE (0.50) ELANEL3MBTL1RETCYP11B1PTGDR2
SCHEMBL2878871 0.74 L3MBTL1 (0.38) L3MBTL1HTR6ENPP2TP53
SCHEMBL2878869 0.74 L3MBTL1 (0.38) L3MBTL1HTR6ENPP2TP53
SCHEMBL8230479 0.74 L3MBTL1 (0.38) L3MBTL1HTR6ENPP2TP53
SCHEMBL2878867 0.74 L3MBTL1 (0.38) L3MBTL1HTR6ENPP2TP53
SCHEMBL2880696 0.74 ELANE (0.40) ELANEL3MBTL1TP53

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 3059/4885L3MBTL1 3728/4885HTR6 2228/4885
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses AADAC, CYP11B2, PC ELANE 2397/4885L3MBTL1 3320/4885HTR6 2651/4885

“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.