SCHEMBL986017

SCHEMBL986017

Cc1cc(Br)ccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 6/20 0.49
AMY1A P0DUB6 3/20 0.46
MMP13 P45452 3/20 0.44
MMP2 P08253 2/20 0.44
MMP9 P14780 2/20 0.44
MMP8 P22894 2/20 0.44
PTGES O14684 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL986061 0.82 MMP13 (0.57) NPBWR1MMP13MMP2MMP9MMP8
SCHEMBL986989 0.80 ALDH1A1 (0.46) NPBWR1AMY1AMMP13MMP2MMP9
SCHEMBL987503 0.79 PTGES (0.41) NPBWR1AMY1AMMP13MMP2MMP9
SCHEMBL984237 0.79 MMP13 (0.57) NPBWR1MMP13MMP2MMP9MMP8
SCHEMBL987534 0.77 NPBWR1 (0.61) NPBWR1MMP13MMP2MMP9MMP8
SCHEMBL986539 0.75 ALDH1A1 (0.46) NPBWR1MMP13MMP2MMP9MMP8
SCHEMBL5251968 0.75 NPC1 (0.59) NPBWR1MMP13MMP2MMP9MMP8
SCHEMBL984222 0.75 NPC1 (0.46) NPBWR1AMY1AMMP2MMP9MMP8
SCHEMBL986842 0.75 NPBWR1 (0.62) NPBWR1AMY1APTGESMEN1KMT2A
SCHEMBL985854 0.74 RIPK1 (0.47) MMP13MMP2MMP9MMP8MEN1

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 NPBWR1 3190/4885AMY1A 2068/4885MMP13 4571/4885

“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.