SCHEMBL986539

SCHEMBL986539

Cc1nc2cc([N+](=O)[O-])cnc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
DYRK3 O43781 1/20 0.40
ABL1 P00519 1/20 0.40
CDK1 P06493 1/20 0.40
CSF1R P07333 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
PHKG2 P15735 1/20 0.40
CDK2 P24941 1/20 0.40
MARK3 P27448 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MAPK8 P45983 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL12778102 0.83 ALDH1A1 (0.46) ALDH1A1RAB9AMEN1KMT2ADYRK3
SCHEMBL984674 0.81 ALDH1A1 (0.56) ALDH1A1RAB9AMEN1KMT2ADYRK3
SCHEMBL986424 0.81 GAA (0.51) ALDH1A1MEN1KMT2ACDK9MAPT
SCHEMBL986055 0.81 ALDH1A1 (0.42) ALDH1A1RAB9AMEN1KMT2ADYRK3
SCHEMBL987534 0.80 NPBWR1 (0.61) ALDH1A1RAB9AMEN1KMT2AABL1
SCHEMBL3586363 0.78 PKM (0.42) ALDH1A1MEN1KMT2ADYRK1ADYRK1B
SCHEMBL5251968 0.77 NPC1 (0.59) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL987958 0.77 ALDH1A1 (0.41) ALDH1A1RAB9AMEN1KMT2AHTT
SCHEMBL3662505 0.77 ALDH1A1 (0.46) ALDH1A1RAB9AMEN1KMT2ADYRK3
SCHEMBL984422 0.76 RAB9A (0.59) ALDH1A1RAB9AMEN1KMT2AMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604050-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-12-10 US disclosed
EP-2235014-B1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-10-09 EP disclosed
US-8299114-B2 Bicyclic derivatives of azabicyclic carboxamides, preparation thereof and therapeutic use thereof SANOFI (FR) 2012-10-30 US disclosed
US-20120252837-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-10-04 US disclosed
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
US-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US 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 (3 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 ALDH1A1 1091/4885RAB9A 752/4885MEN1 1673/4885
US-20110009400-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, HDAC1 ALDH1A1 1325/4885RAB9A 2888/4885MEN1 2166/4885
US-20120252837-A1 BICYCLIC DERIVATIVES OF AZABICYCLIC CARBOXAMIDES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF XDH, NQO2, HDAC1 ALDH1A1 1325/4885RAB9A 2888/4885MEN1 2166/4885

“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.