SCHEMBL3966282

SCHEMBL3966282

O=[N+]([O-])c1ccc2c(-c3ccccc3Cl)n[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.55
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
MAP2K7 O14733 1/20 0.48
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
ADRA1A P35348 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47

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
SCHEMBL1513036 0.82 MAPT (0.78) NPBWR1MAPTHPGDMAP2K7CDK2
SCHEMBL6377261 0.79 MAPT (0.64) MAPTHPGDMAP2K7DAO
SCHEMBL2926701 0.77 MAPT (0.50) NPBWR1MAPTHPGDMAP2K7DAO
Hydrochloric Acid SCHEMBL6371427 0.76 MAPT (0.51) MAPTHPGDMAP2K7CDK2CCNE2
SCHEMBL3960972 0.76 AXL (0.54) MAPTCDK2CDK1CCNA1CCNE2
SCHEMBL27671365 0.76 MAPT (0.49) NPBWR1MAPTHPGDMAP2K7DAO
SCHEMBL30364178 0.75 IDO1 (0.60) HPGDMAPK10
SCHEMBL20166468 0.75 MAP2K4 (0.58) MAPK8MAPK10MAPK14PAK1
SCHEMBL21536862 0.74 CHEK1 (0.58) MAPK8MAPK10MAPK14PAK1
SCHEMBL2860859 0.74 MAP2K7 (0.59) MAPTHPGDMAP2K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 US disclosed
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 US disclosed
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 US disclosed
CN-101243051-A P38 MAP kinase inhibitors and methods for using the same HOFFMANN LA ROCHE (CH) 2008-08-13 CN disclosed
EP-1919877-A1 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 US disclosed
WO-2007023114-A1 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
WO-2007023114-A1 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K20 NPBWR1 857/4885MAPT 1517/4885HPGD 1001/4885

“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.