SCHEMBL984674

SCHEMBL984674

CC(C)(C)c1nc2cc([N+](=O)[O-])cnc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPC1 O15118 2/20 0.43
CSNK1D P48730 2/20 0.38
CSNK1G2 P78368 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HTT P42858 2/20 0.38
GALR3 O60755 1/20 0.38
NPBWR1 P48145 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DYRK3 O43781 1/20 0.35
ABL1 P00519 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
SCHEMBL986539 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1CSNK1DCSNK1G2
SCHEMBL12778102 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1CSNK1DCSNK1G2
SCHEMBL986055 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1CSNK1DCSNK1G2
SCHEMBL986424 0.77 GAA (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL4251890 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2L3MBTL1NPC1CSNK1D
SCHEMBL7034026 0.75 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2L3MBTL1NPC1CSNK1D
SCHEMBL12724849 0.74 ABL1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1ABL1KDR
SCHEMBL3586363 0.73 PKM (0.42) ALDH1A1NPC1KMT2AMEN1HTT
SCHEMBL21450719 0.73 HTT (0.39) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL988470 0.73 L3MBTL1 (0.37) ALDH1A1SMN1; SMN2L3MBTL1MAPTABL1

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 ALDH1A1 1091/4885SMN1; SMN2 2594/4885L3MBTL1 1593/4885

“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.