SCHEMBL312533

SCHEMBL312533

Nc1ccc(-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.60
KIF11 P52732 6/20 0.57
PIK3CD O00329 3/20 0.56
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
LTA4H P09960 1/20 0.47
MAP4K4 O95819 2/20 0.47
GCK P35557 1/20 0.46
GCKR Q14397 1/20 0.46
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
CLK1 P49759 1/20 0.43

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
SCHEMBL177728 0.83 KMT2A (0.52) NPBWR1KIF11PIK3CDGCKGCKR
SCHEMBL29441491 0.83 KMT2A (0.52) NPBWR1KIF11PIK3CDGCKGCKR
SCHEMBL30337416 0.82 PIK3CD (0.70) NPBWR1PIK3CDMKNK1MKNK2LTA4H
SCHEMBL29818212 0.82 KIF11 (0.59) KIF11MKNK1MKNK2MAP4K4ALOX5AP
Hydrochloric Acid SCHEMBL1865537 0.81 KMT2A (0.50) NPBWR1KIF11PIK3CDGCKGCKR
Ammonia Solution, Strong SCHEMBL27669845 0.81 KMT2A (0.50) NPBWR1KIF11PIK3CDGCKGCKR
Methane SCHEMBL3555245 0.81 KMT2A (0.50) NPBWR1KIF11PIK3CDGCKGCKR
SCHEMBL30704262 0.80 MAP4K4 (0.62) NPBWR1KIF11PIK3CDMKNK2MAP4K4
SCHEMBL2762443 0.80 PIK3CD (0.56) NPBWR1PIK3CDMKNK1MKNK2MAP4K4
SCHEMBL28051302 0.80 MAP4K4 (0.62) NPBWR1KIF11PIK3CDMKNK2MAP4K4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN claimed
US-10858375-B2 Nitrogenous cyclic compound and color changing film comprising same LG CHEM, LTD. (KR) 2020-12-08 US disclosed
US-10711015-B2 Nitrogen-containing compound and color conversion film comprising same LG CHEM, LTD. (KR) 2020-07-14 US disclosed
US-20200032138-A1 NITROGEN-CONTAINING COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME LG CHEM, LTD. (KR) 2020-01-30 US disclosed
CN-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-8349844-B2 Substituted pyrazolo [1,5-A] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GATTI MCARTHUR SILVIA (CH) 2012-02-16 US disclosed
US-8093263-B2 Substituted pyrazolo [1,5-a] pyrimidines as metabotropic glutamate antagonists HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8063048-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-7446113-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-11-04 US disclosed
EP-1934214-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
EP-1863818-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 EP disclosed
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives MCARTHUR SILVIA G 2007-07-19 US disclosed
US-7238808-B2 Acetylenyl-pyrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2007-07-03 US disclosed
WO-2007039439-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists HOFFMANN-LA ROCHE INC. 2007-03-29 US disclosed
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-28 US disclosed
WO-2006099972-A1 ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 WO disclosed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 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 (7 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-20200032138-A1 NITROGEN-CONTAINING COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME MYB, NUDC, BLVRB NPBWR1 1363/4885KIF11 4489/4885PIK3CD 3498/4885
US-20060217387-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, TPMT, ACAT1 NPBWR1 2345/4885KIF11 1003/4885PIK3CD 3641/4885
US-20120041002-A1 SUBSTITUTED PYRAZOLO [1,5-A] PYRIMIDINES AS METABOTROPIC GLUTAMATE ANTAGONISTS GRM1, GRM2, GRM3 NPBWR1 309/4885KIF11 1243/4885PIK3CD 2407/4885
US-20070167460-A1 Acetylenyl-pyrazolo-pyrimidine derivatives NAT1, ADORA2B, TPMT NPBWR1 2568/4885KIF11 1180/4885PIK3CD 3540/4885
US-10711015-B2 Nitrogen-containing compound and color conversion film comprising same MYB, NUDC, BLVRB NPBWR1 1363/4885KIF11 4489/4885PIK3CD 3498/4885
US-10858375-B2 Nitrogenous cyclic compound and color changing film comprising same CRY1, MYB, NUDC NPBWR1 1819/4885KIF11 4478/4885PIK3CD 2422/4885
US-20070072879-A1 Novel compounds as metabotropic glutamate receptor antagonists GRM1, GRM2, GRM3 NPBWR1 217/4885KIF11 1593/4885PIK3CD 2987/4885

“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.