SCHEMBL984150

SCHEMBL984150

COc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.63
RAB9A P51151 9/20 0.63
MAPT P10636 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
NPBWR1 P48145 4/20 0.63
KMT2A Q03164 4/20 0.63
HTT P42858 3/20 0.63
MEN1 O00255 3/20 0.63
NFKB1 P19838 2/20 0.63
MAPK1 P28482 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
LMNA P02545 1/20 0.63
GAA P10253 1/20 0.63
STAT1 P42224 1/20 0.63
SAE1 Q9UBE0 1/20 0.63
UBA2 Q9UBT2 1/20 0.63
ALDH1A1 P00352 3/20 0.48
CHEK2 O96017 2/20 0.46
MMP2 P08253 3/20 0.46

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
SCHEMBL5251968 0.87 NPC1 (0.59) NPC1RAB9AMAPTSMN1; SMN2NPBWR1
SCHEMBL987534 0.86 NPBWR1 (0.61) NPC1RAB9AMAPTSMN1; SMN2NPBWR1
SCHEMBL987496 0.84 NPBWR1 (0.61) NPC1RAB9AMAPTSMN1; SMN2NPBWR1
SCHEMBL984215 0.84 MAPT (0.49) NPC1RAB9AMAPTSMN1; SMN2NPBWR1
SCHEMBL986061 0.84 MMP13 (0.57) NPC1RAB9AMAPTSMN1; SMN2NPBWR1
SCHEMBL984422 0.83 RAB9A (0.59) NPC1RAB9AMAPTSMN1; SMN2NPBWR1
SCHEMBL2977857 0.83 ALOX5 (0.48) NPC1RAB9AMAPTSMN1; SMN2NPBWR1
SCHEMBL984310 0.83 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2NPBWR1
SCHEMBL988049 0.82 NPC1 (0.60) NPC1RAB9AMAPTSMN1; SMN2NPBWR1
SCHEMBL986443 0.81 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2NPBWR1

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 NPC1 3527/4885RAB9A 752/4885MAPT 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.