SCHEMBL986424

SCHEMBL986424

CCc1nc2cc([N+](=O)[O-])cnc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KCNJ1 P48048 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RIPK1 Q13546 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPBWR1 P48145 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
PKM P14618 1/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3586363 0.85 PKM (0.42) GAAKDM4EALDH1A1KCNJ1LMNA
SCHEMBL986539 0.81 ALDH1A1 (0.46) GAAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL987279 0.79 RIPK1 (0.43) KDM4EALDH1A1KCNJ1LMNAMAPT
SCHEMBL12778102 0.78 ALDH1A1 (0.46) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL986906 0.78 RIPK1 (0.47) GAAALDH1A1LMNAMAPTRIPK1
SCHEMBL985854 0.78 RIPK1 (0.47) GAAALDH1A1KCNJ1LMNAMAPT
SCHEMBL986665 0.78 GRIN1 (0.49) GAAALDH1A1LMNAMAPTRIPK1
SCHEMBL986055 0.77 ALDH1A1 (0.42) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL984674 0.77 ALDH1A1 (0.56) GAAALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL985853 0.76 RIPK1 (0.43) GAAKDM4EALDH1A1KCNJ1LMNA

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 GAA 3201/4885KDM4E 2145/4885ALDH1A1 1091/4885

“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.