SCHEMBL988049

SCHEMBL988049

O=[N+]([O-])c1cnc2[nH]c(-c3ccncc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
PKN1 Q16512 2/20 0.60
PKN2 Q16513 2/20 0.60
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 7/20 0.47
MAPT P10636 6/20 0.47
MMP2 P08253 4/20 0.47
MMP9 P14780 4/20 0.47
MMP8 P22894 4/20 0.47
HTT P42858 3/20 0.47
MMP13 P45452 3/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
NPBWR1 P48145 6/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
NFKB1 P19838 3/20 0.45
KMT2A Q03164 3/20 0.45

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 0.89 NPC1 (0.59) NPC1PKN1PKN2SMN1; SMN2RAB9A
SCHEMBL984422 0.88 RAB9A (0.59) NPC1PKN1PKN2SMN1; SMN2RAB9A
SCHEMBL986022 0.86 RAB9A (0.65) NPC1PKN1PKN2SMN1; SMN2RAB9A
SCHEMBL986061 0.85 MMP13 (0.57) NPC1PKN1PKN2SMN1; SMN2RAB9A
SCHEMBL987534 0.85 NPBWR1 (0.61) NPC1SMN1; SMN2RAB9AMAPTMMP2
SCHEMBL987496 0.85 NPBWR1 (0.61) NPC1PKN1PKN2SMN1; SMN2RAB9A
SCHEMBL984215 0.85 MAPT (0.49) NPC1PKN1PKN2SMN1; SMN2RAB9A
SCHEMBL2977867 0.85 NPC1 (0.43) NPC1PKN1PKN2SMN1; SMN2RAB9A
SCHEMBL984016 0.85 SCN2A (0.48) NPC1PKN1PKN2SMN1; SMN2RAB9A
SCHEMBL984150 0.82 NPC1 (0.63) NPC1SMN1; SMN2RAB9AMAPTMMP2

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 3527/4885PKN1 1205/4885PKN2 1072/4885

“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.