SCHEMBL986445

SCHEMBL986445

O=[N+]([O-])c1cnc2[nH]c(-c3cccc(Cl)c3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 8/20 0.63
MAPT P10636 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GUSB P08236 1/20 0.46
MMP13 P45452 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
KDR P35968 1/20 0.41
GRIN2D O15399 1/20 0.41

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
SCHEMBL987496 0.86 NPBWR1 (0.61) NPBWR1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL984422 0.86 RAB9A (0.59) NPBWR1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL984237 0.85 MMP13 (0.57) NPBWR1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL986056 0.84 NPBWR1 (0.50) NPBWR1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL2977867 0.83 NPC1 (0.43) NPBWR1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL986028 0.82 SCN2A (0.56) NPBWR1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL4476782 0.82 RAB9A (0.53) NPBWR1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL5251968 0.82 NPC1 (0.59) NPBWR1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL986022 0.81 RAB9A (0.65) NPBWR1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL2973918 0.81 NPBWR1 (0.44) NPBWR1MAPTRAB9ASMN1; SMN2MEN1

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 3190/4885MAPT 4751/4885RAB9A 752/4885

“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.