SCHEMBL986665

SCHEMBL986665

COc1ccc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.49
GRIN2B Q13224 2/20 0.49
KMT2A Q03164 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
RIPK1 Q13546 1/20 0.45
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
GAA P10253 2/20 0.43
NFKB1 P19838 1/20 0.43
STAT1 P42224 1/20 0.43
NPBWR1 P48145 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL985854 0.85 RIPK1 (0.47) GRIN1GRIN2BKMT2ANPC1RAB9A
SCHEMBL986906 0.85 RIPK1 (0.47) GRIN1GRIN2BKMT2ANPC1RAB9A
SCHEMBL31154045 0.81 GRIN1 (0.62) GRIN1GRIN2BKMT2ANPC1RAB9A
SCHEMBL985853 0.81 RIPK1 (0.43) GRIN1GRIN2BKMT2ANPC1RAB9A
SCHEMBL984150 0.80 NPC1 (0.63) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL986239 0.80 GRIN1 (0.47) GRIN1GRIN2BNPC1RAB9AMAPT
SCHEMBL13607772 0.80 GRIN1 (0.47) GRIN1GRIN2BLMNASMN1; SMN2HTT
SCHEMBL987279 0.79 RIPK1 (0.43) GRIN1GRIN2BKMT2ARIPK1MEN1
SCHEMBL5033880 0.78 NOS2 (0.49) MAPTLMNAALDH1A1KAT2B
SCHEMBL13607798 0.78 RIPK1 (0.50) GRIN1GRIN2BKMT2ARIPK1MEN1

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 GRIN1 4118/4885GRIN2B 4252/4885KMT2A 2318/4885

“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.