SCHEMBL12467808

SCHEMBL12467808

Nc1n[nH]c2nc(Nc3ccc(F)cc3F)ccc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK14 Q16539 10/20 0.48
MAPK9 P45984 1/20 0.44
KDR P35968 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL24244938 0.90 DHFR (0.46) KDM4ENPC1ALDH1A1GAANFKB1
SCHEMBL24244937 0.86 MAPK14 (0.42) KDM4ENPC1ALDH1A1GAANFKB1
SCHEMBL24244950 0.83 AURKA (0.43) KDM4ENPC1ALDH1A1GAANFKB1
SCHEMBL24244976 0.78 DHFR (0.39) KDM4ENPC1RAB9ASMN1; SMN2KDR
SCHEMBL24244931 0.78 SGK1 (0.39) KDM4EALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL3251323 0.77 MAPK14 (0.48) KDM4ENPC1ALDH1A1GAANFKB1
SCHEMBL3249327 0.75 MAPK9 (0.51) KDM4ENPC1ALDH1A1GAANFKB1
SCHEMBL3251929 0.75 MAPK14 (0.47) KDM4ENPC1ALDH1A1GAANFKB1
SCHEMBL3253883 0.73 MAPK9 (0.47) KDM4ENPC1ALDH1A1GAANFKB1
SCHEMBL3250649 0.73 MAPK9 (0.47) NPC1RAB9ASMN1; SMN2MAPK14MAPK9

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
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS ROTTAPHARM BIOTECH S.R.L. (IT) 2022-02-10 US disclosed
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-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk PIERRE FABRE MEDICAMENT (FR) 2015-09-24 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
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
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 (5 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 KDM4E 2169/4885NPC1 3756/4885ALDH1A1 3886/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 KDM4E 1447/4885NPC1 2189/4885ALDH1A1 2415/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR KDM4E 3112/4885NPC1 2290/4885ALDH1A1 998/4885
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 KDM4E 1447/4885NPC1 2189/4885ALDH1A1 2415/4885
US-20220041559-A1 BENZO-AND PYRIDO-PYRAZOLES AS PROTEIN KINASE INHIBITORS PDXK, MAP4K2, PLK2 KDM4E 1169/4885NPC1 3159/4885ALDH1A1 2514/4885

“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.