SCHEMBL987289

SCHEMBL987289

O=[N+]([O-])c1cnc2[nH]c(Nc3ccccc3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.63
KMT2A Q03164 7/20 0.51
MEN1 O00255 5/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.48
EGFR P00533 2/20 0.47
CSNK1D P48730 2/20 0.46
CSNK1G2 P78368 2/20 0.46
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC11 Q96DB2 1/20 0.44
GFER P55789 1/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL984422 0.78 RAB9A (0.59) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL32666084 0.77 RIPK1 (0.67) RIPK1KMT2AMEN1MAPTEGFR
SCHEMBL985990 0.76 MEN1 (0.50) RIPK1KMT2AMEN1MAPTLMNA
SCHEMBL32666092 0.75 RIPK1 (0.73) RIPK1KMT2AMEN1MAPTALDH1A1
SCHEMBL32666091 0.75 RIPK1 (0.73) RIPK1KMT2AMEN1MAPTALDH1A1
SCHEMBL986539 0.74 ALDH1A1 (0.46) KMT2AMEN1MAPTALDH1A1CSNK1D
SCHEMBL12778102 0.74 ALDH1A1 (0.46) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL986989 0.72 ALDH1A1 (0.46) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL986842 0.72 NPBWR1 (0.62) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL984222 0.72 NPC1 (0.46) KMT2AMEN1MAPTALDH1A1L3MBTL1

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 RIPK1 894/4885KMT2A 2318/4885MEN1 1673/4885

“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.