SCHEMBL986906

SCHEMBL986906

O=[N+]([O-])c1cnc2[nH]c(Cc3ccc(Cl)cc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 2/20 0.46
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
NPBWR1 P48145 1/20 0.40
PSD A5PKW4 1/20 0.39
AHR P35869 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL985854 0.88 RIPK1 (0.47) RIPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL985853 0.86 RIPK1 (0.43) RIPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL986665 0.85 GRIN1 (0.49) RIPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL987279 0.81 RIPK1 (0.43) RIPK1ALDH1A1MAPTGRIN1GRIN2B
SCHEMBL13607798 0.81 RIPK1 (0.50) RIPK1ALDH1A1MAPTGAAGRIN1
SCHEMBL987496 0.79 NPBWR1 (0.61) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL986302 0.78 MAPT (0.44) MAPTNPC1RAB9AGAAGRIN1
SCHEMBL13607784 0.78 MAPT (0.40) MAPTNPC1RAB9AGAAMEN1
SCHEMBL986424 0.78 GAA (0.51) RIPK1ALDH1A1MAPTGAAMEN1
SCHEMBL3586363 0.78 PKM (0.42) RIPK1ALDH1A1MAPTNPC1GAA

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 RIPK1 894/4885ALDH1A1 1091/4885MAPT 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.