SCHEMBL986164

SCHEMBL986164

O=[N+]([O-])c1cnc2[nH]c(-c3ccc(Cl)c(C(F)(F)F)c3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 5/20 0.45
PSD A5PKW4 1/20 0.44
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
CHEK2 O96017 4/20 0.41
SCN2A Q99250 1/20 0.40
NOTUM Q6P988 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CASP3 P42574 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL984018 0.87 NPBWR1 (0.50) NPBWR1MAPTHTTRAB9ANPC1
SCHEMBL986056 0.86 NPBWR1 (0.50) NPBWR1MAPTHTTRAB9ANPC1
SCHEMBL984016 0.83 SCN2A (0.48) NPBWR1MAPTHTTRAB9ANPC1
SCHEMBL29848847 0.82 NPBWR1 (0.57) NPBWR1PSDMAPTHTTRAB9A
SCHEMBL987496 0.81 NPBWR1 (0.61) NPBWR1MAPTHTTRAB9ANPC1
SCHEMBL986751 0.81 NOTUM (0.45) NPBWR1MAPTRAB9ANPC1ALDH1A1
SCHEMBL986028 0.80 SCN2A (0.56) NPBWR1MAPTHTTRAB9ANPC1
SCHEMBL5251968 0.80 NPC1 (0.59) NPBWR1MAPTHTTRAB9ANPC1
SCHEMBL2973918 0.79 NPBWR1 (0.44) NPBWR1MAPTHTTRAB9ANPC1
SCHEMBL984215 0.79 MAPT (0.49) NPBWR1MAPTHTTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF NPBWR1 3190/4885PSD 3226/4885MAPT 4751/4885

“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.