SCHEMBL987279

SCHEMBL987279

O=[N+]([O-])c1cnc2[nH]c(Cc3cc(F)cc(F)c3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPT P10636 5/20 0.35
LMNA P02545 3/20 0.35
KCNJ1 P48048 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.33
PKM P14618 2/20 0.33
MDM2 Q00987 1/20 0.33
HTT P42858 2/20 0.32
SLC29A1 Q99808 1/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL985853 0.84 RIPK1 (0.43) RIPK1GRIN1GRIN2BALDH1A1MAPT
SCHEMBL985854 0.81 RIPK1 (0.47) RIPK1GRIN1GRIN2BALDH1A1MAPT
SCHEMBL986906 0.81 RIPK1 (0.47) RIPK1GRIN1GRIN2BALDH1A1MAPT
SCHEMBL986665 0.79 GRIN1 (0.49) RIPK1GRIN1GRIN2BALDH1A1MAPT
SCHEMBL986424 0.79 GAA (0.51) RIPK1ALDH1A1MAPTLMNAKCNJ1
SCHEMBL3586363 0.79 PKM (0.42) RIPK1ALDH1A1MAPTLMNAKCNJ1
SCHEMBL29124593 0.78 TDP1 (0.34) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL984741 0.78 MAPT (0.36) GRIN1GRIN2BMAPTLMNAKDM4E
SCHEMBL986539 0.75 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13607798 0.74 RIPK1 (0.50) RIPK1GRIN1GRIN2BALDH1A1MAPT

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 894/4885GRIN1 4118/4885GRIN2B 4252/4885

“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.