SCHEMBL986028

SCHEMBL986028

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 2/20 0.56
MEN1 O00255 2/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
STAT6 P42226 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL984016 0.87 SCN2A (0.48) SCN2AMEN1HTTRAB9AKMT2A
SCHEMBL986972 0.84 CYP1A2 (0.47) SCN2AMEN1HTTRAB9AKMT2A
SCHEMBL984422 0.83 RAB9A (0.59) MEN1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL986445 0.82 NPBWR1 (0.63) MEN1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL984237 0.82 MMP13 (0.57) MEN1HTTRAB9AKMT2ASMN1; SMN2
SCHEMBL3204647 0.81 RAB9A (0.60) SCN2AMEN1HTTRAB9AKMT2A
SCHEMBL984018 0.80 NPBWR1 (0.50) SCN2AMEN1HTTRAB9AKMT2A
SCHEMBL986164 0.80 NPBWR1 (0.45) SCN2AMEN1HTTRAB9AKMT2A
SCHEMBL13608576 0.80 SCN2A (0.53) SCN2AMEN1HTTRAB9AKMT2A
SCHEMBL13607863 0.80 CYP1A2 (0.53) SCN2AMEN1HTTRAB9AKMT2A

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 SCN2A 3221/4885MEN1 1673/4885HTT 4873/4885

“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.