SCHEMBL4757258

SCHEMBL4757258

N#Cc1cc(Cl)cnc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 5/20 0.47
MAPT P10636 4/20 0.38
GRIA1 P42261 2/20 0.38
GRIA2 P42262 2/20 0.38
GRIA3 P42263 2/20 0.38
GRIA4 P48058 2/20 0.38
GRM6 O15303 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
PIN1 Q13526 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL8561102 0.79 XDH (0.41) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL3545535 0.76 TSHR (0.48) MAPTCYP2C9HPGDAPEX1ALDH1A1
SCHEMBL3668043 0.73 S1PR4 (0.43) VCAM1MAPTHTTPIN1TDP1
SCHEMBL31289923 0.73 MAPT (0.45) MAPTTDP1ALDH1A1KDM4EGALR3
SCHEMBL2340132 0.73 KDM4E (0.38) MAPTHTTTDP1ALDH1A1KDM4E
SCHEMBL2448243 0.73 KDM4E (0.42) MAPTHTTGAAHPGDALDH1A1
SCHEMBL12466573 0.72 VCAM1 (0.40) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL3931505 0.72 VCAM1 (0.51) VCAM1MAPTGRIA1GRIA2GRIA3
SCHEMBL1031743 0.71 ALDH1A1 (0.56) CYP1A2GAACYP2C9HPGDTDP1
SCHEMBL30681117 0.71 ALDH1A1 (0.56) CYP1A2GAACYP2C9HPGDTDP1

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 20 patents. 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
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PIERRE FABRE MEDICAMENT (FR) 2015-07-09 US disclosed
EP-2877177-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN Pierre Fabre Médicament (FR) 2015-06-03 EP 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
US-8883821-B2 Substituted pyrazolo[3,4-b]pyridines as medicaments PIERRE FABRE MEDICAMENT (FR) 2014-11-11 US disclosed
WO-2014016433-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PIERRE FABRE MEDICAMENT (FR) 2014-01-30 WO disclosed
WO-2014016434-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK PIERRE FABRE MEDICAMENT (FR) 2014-01-30 WO 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-2689778-A1 Derivatives of azaindoles or diazaindoles for treating pain PIERRE FABRE MEDICAMENT (FR) 2014-01-29 EP disclosed
EP-2668184-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT Pierre Fabre Medicament (FR) 2013-12-04 EP 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-2012101239-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2012-08-02 WO disclosed
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 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 4266/4885MAPT 1969/4885GRIA1 1278/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 VCAM1 1705/4885MAPT 5/4885GRIA1 196/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR VCAM1 3440/4885MAPT 400/4885GRIA1 468/4885
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 VCAM1 1705/4885MAPT 5/4885GRIA1 196/4885

“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.