SCHEMBL12466671

SCHEMBL12466671

N#Cc1nc(I)cnc1N

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
HTT P42858 1/20 0.37
ALOX5AP P20292 5/20 0.36
FEN1 P39748 5/20 0.36
USP8 P40818 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3R1 P27986 1/20 0.34
ABL1 P00519 1/20 0.30

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
SCHEMBL7781784 0.78 USP8 (0.40) CSNK1A1CLK4HTTALOX5APFEN1
SCHEMBL1697950 0.77 CSNK1A1 (0.38) CSNK1A1CLK4HTTALOX5APFEN1
SCHEMBL618039 0.77 HTT (0.47) CSNK1A1CLK4HTTALOX5APFEN1
SCHEMBL6375598 0.75 ALOX5AP (0.42) CSNK1A1CLK4HTTALOX5APFEN1
SCHEMBL13346128 0.75 CSNK1A1 (0.37) CSNK1A1CLK4HTTALOX5APFEN1
SCHEMBL9195651 0.75 KDM4E (0.41) CSNK1A1CLK4HTTALOX5APFEN1
SCHEMBL28648721 0.75 HTT (0.33) HTT
SCHEMBL12466516 0.75 ALDH1A1 (0.36) CSNK1A1CLK4
SCHEMBL28464487 0.75 TTR (0.30)
SCHEMBL3007559 0.75 CSNK1A1 (0.38) CSNK1A1CLK4HTTALOX5APFEN1

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 21 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
US-8883821-B2 Substituted pyrazolo[3,4-b]pyridines as medicaments PIERRE FABRE MEDICAMENT (FR) 2014-11-11 US 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
WO-2014016433-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN 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
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-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 CSNK1A1 14/4885CLK4 390/4885HTT 3622/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 CSNK1A1 11/4885CLK4 257/4885HTT 881/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR CSNK1A1 321/4885CLK4 1591/4885HTT 2081/4885
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 CSNK1A1 11/4885CLK4 257/4885HTT 881/4885

“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.