SCHEMBL986989

SCHEMBL986989

O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3Br)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
NPBWR1 P48145 5/20 0.45
AMY1A P0DUB6 3/20 0.42
NQO2 P16083 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGES O14684 2/20 0.41
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
METAP1 P53582 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GUSB P08236 1/20 0.39
MMP13 P45452 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 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
SCHEMBL984222 0.85 NPC1 (0.46) ALDH1A1NPBWR1AMY1AMEN1KMT2A
SCHEMBL986842 0.85 NPBWR1 (0.62) ALDH1A1NPBWR1AMY1AMEN1KMT2A
SCHEMBL984422 0.82 RAB9A (0.59) ALDH1A1NPBWR1MEN1KMT2ANPC1
SCHEMBL986017 0.80 NPBWR1 (0.49) ALDH1A1NPBWR1AMY1AMEN1KMT2A
SCHEMBL986061 0.80 MMP13 (0.57) ALDH1A1NPBWR1MEN1KMT2ANPC1
SCHEMBL984237 0.79 MMP13 (0.57) ALDH1A1NPBWR1MEN1KMT2ANPC1
SCHEMBL5251968 0.78 NPC1 (0.59) ALDH1A1NPBWR1MEN1KMT2ANPC1
SCHEMBL983774 0.78 PTGES (0.45) ALDH1A1AMY1AMEN1KMT2APTGES
SCHEMBL988049 0.75 NPC1 (0.60) ALDH1A1NPBWR1MEN1KMT2ANPC1
SCHEMBL986022 0.75 RAB9A (0.65) ALDH1A1NPBWR1MEN1KMT2ANPC1

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 ALDH1A1 1091/4885NPBWR1 3190/4885AMY1A 2068/4885

“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.