SCHEMBL12466550

SCHEMBL12466550

N#Cc1cc(OCc2cc(F)cc(F)c2)cnc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.42
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 2/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MAOA P21397 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.36
KHK P50053 1/20 0.36
IDO1 P14902 2/20 0.35
GSK3B P49841 1/20 0.35
BACE1 P56817 1/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
XDH P47989 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL11195293 0.81 MAOB (0.61) CNR1ALDH1A1NPSR1TDP1MAOB
SCHEMBL32671133 0.75 ALDH1A1 (0.46) ALDH1A1NPSR1TDP1CYP11B1CYP11B2
SCHEMBL12466693 0.74 CHRNB2 (0.49) MAOBIDO1GSK3BBACE1CYP11B1
SCHEMBL2458651 0.74 ALDH1A1 (0.45) CNR1ALDH1A1NPSR1TDP1
SCHEMBL25317930 0.73 ALDH1A1 (0.44) ALDH1A1NPSR1TDP1CYP11B1CYP11B2
SCHEMBL30506830 0.73 ALDH1A1 (0.44) ALDH1A1NPSR1TDP1CYP11B1CYP11B2
SCHEMBL1336379 0.72 MAOB (0.50) CNR1MAOBMAOAMRGPRX4IDO1
SCHEMBL165874 0.72 ALDH1A1 (0.53) ALDH1A1NPSR1TDP1KHKCYP11B1
SCHEMBL30063067 0.72 ALDH1A1 (0.53) ALDH1A1NPSR1TDP1KHKCYP11B1
SCHEMBL2695938 0.72 ALDH1A1 (0.43) ALDH1A1NPSR1TDP1CYP11B1CYP11B2

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 18 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-2877176-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK Pierre Fabre Médicament (FR) 2015-06-03 EP disclosed
EP-2877177-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN 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

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 CNR1 3470/4885ALDH1A1 3886/4885NPSR1 4500/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 CNR1 1922/4885ALDH1A1 2415/4885NPSR1 3794/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR CNR1 231/4885ALDH1A1 998/4885NPSR1 440/4885
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 CNR1 1922/4885ALDH1A1 2415/4885NPSR1 3794/4885

“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.