SCHEMBL12466455

SCHEMBL12466455

N#Cc1nc(SCc2cc(F)cc(F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
GAA P10253 1/20 0.37
MDM2 Q00987 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ATM Q13315 2/20 0.35
CTSB P07858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
APOBEC3G Q9HC16 1/20 0.34
SLC29A1 Q99808 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.33
GSTP1 P09211 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
SCHEMBL28148940 0.79 GFER (0.34) ALDH1A1L3MBTL1LMNATDP1KDM4E
SCHEMBL12466555 0.78 TDP1 (0.37) ALDH1A1MAPTSMN1; SMN2LMNAABCG2
SCHEMBL12466470 0.71 EPAS1 (0.42) ALDH1A1MAPTABCG2POLBTDP1
SCHEMBL21623768 0.70 MDM2 (0.48) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL21623745 0.70 SMN1; SMN2 (0.54) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL6837266 0.70 CTSB (0.42) ALDH1A1MAPTSMN1; SMN2LMNAABCG2
SCHEMBL12466500 0.68 VCAM1 (0.46) ALDH1A1L3MBTL1MAPTLMNAPOLB
SCHEMBL21623748 0.68 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTSMN1; SMN2MDM2
SCHEMBL5380400 0.65 MAPT (0.49) ALDH1A1MAPTLMNAPOLBSLC29A1
SCHEMBL20338474 0.64 RXFP1 (0.49) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA

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 22 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
CN-104684554-B Derivatives of azaindazole or diazaindazole type for treating pain 皮埃尔法布雷医药公司 2017-05-10 CN 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
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 ALDH1A1 3886/4885L3MBTL1 2958/4885MAPT 1969/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 ALDH1A1 2415/4885L3MBTL1 4865/4885MAPT 5/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR ALDH1A1 998/4885L3MBTL1 4451/4885MAPT 400/4885
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 ALDH1A1 2415/4885L3MBTL1 4865/4885MAPT 5/4885

“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.