SCHEMBL12466573

SCHEMBL12466573

N#Cc1nc(Cl)cnc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.40
KDM4E B2RXH2 2/20 0.35
S1PR4 O95977 3/20 0.35
PIN1 Q13526 1/20 0.35
GALR3 O60755 1/20 0.33
DPP4 P27487 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 4/20 0.32
GRM6 O15303 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.31
CYP2C9 P11712 1/20 0.31
APEX1 P27695 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL14814864 0.76 KDM4E (0.40) KDM4ES1PR4PIN1GALR3TDP1
SCHEMBL11086636 0.73 ALDH1A1 (0.44) KDM4EMAPTPOLBALDH1A1LMNA
SCHEMBL4757258 0.72 VCAM1 (0.47) VCAM1KDM4EPIN1GALR3DPP4
SCHEMBL15559635 0.72 VCAM1 (0.36) VCAM1KDM4ES1PR4DPP4TDP1
SCHEMBL669545 0.71 VCAM1 (0.46) VCAM1KDM4EPIN1TDP1MAPK1
SCHEMBL30609320 0.71 VCAM1 (0.46) VCAM1KDM4EPIN1TDP1MAPK1
SCHEMBL29380304 0.71 ALDH1A1 (0.38) KDM4ETDP1POLBALDH1A1
SCHEMBL1338461 0.71 ALDH1A1 (0.38) KDM4ETDP1POLBALDH1A1
SCHEMBL14813751 0.70 MAPT (0.39) KDM4EPIN1MAPK1MAPTPOLB
SCHEMBL14506185 0.70 VCAM1 (0.38) VCAM1KDM4EDPP4TDP1MAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668184-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PF MEDICAMENT (FR) 2018-01-10 EP disclosed
EP-2877176-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK PF MEDICAMENT (FR) 2017-04-26 EP disclosed
EP-2877177-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PF MEDICAMENT (FR) 2016-10-26 EP disclosed
US-9428510-B2 Derivatives of azaindazole or diazaindazole type for treating a cancer overexpressing Trk PIERRE FABRE MEDICAMENT (FR) 2016-08-30 US disclosed
US-9381195-B2 Derivatives of azaindazole or diazaindazole type for treating pain PIERRE FABRE MEDICAMENT (FR) 2016-07-05 US disclosed
US-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk PIERRE FABRE MEDICAMENT (FR) 2015-09-24 US disclosed
CN-103339129-B Azaindazole or diazaindazole derivatives as medicaments PIERRE FABRE MEDICAMENT (FR) 2015-07-29 CN disclosed
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PIERRE FABRE MEDICAMENT (FR) 2015-07-09 US disclosed
EP-2877176-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK Pierre Fabre Médicament (FR) 2015-06-03 EP disclosed
CN-104684554-A Derivatives of azaindazole or diazaindazole type for treating pain PF MEDICAMENT 2015-06-03 CN disclosed
WO-2014016433-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PIERRE FABRE MEDICAMENT (FR) 2014-01-30 WO disclosed
EP-2689778-A1 Derivatives of azaindoles or diazaindoles for treating pain PIERRE FABRE MEDICAMENT (FR) 2014-01-29 EP disclosed
EP-2689779-A1 Derivatives of azaindazole or diazaindazole type for treating a cancer overexpressing trk PIERRE FABRE MEDICAMENT (FR) 2014-01-29 EP disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 EP disclosed
EP-2668184-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT Pierre Fabre Medicament (FR) 2013-12-04 EP disclosed
CN-103339129-A Azaindazole or diazaindazole derivatives as medicaments PF MEDICAMENT 2013-10-02 CN disclosed
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2013-07-04 US disclosed
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2013-04-04 US disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
WO-2012101239-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2012-08-02 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 (4 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-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk TTK, NTRK1, NTRK3 VCAM1 4266/4885KDM4E 2169/4885S1PR4 4294/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 VCAM1 1705/4885KDM4E 1447/4885S1PR4 4333/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR VCAM1 3440/4885KDM4E 3112/4885S1PR4 3374/4885
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 VCAM1 1705/4885KDM4E 1447/4885S1PR4 4333/4885

“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.