Sugi Predict

Sugi Predict / Compounds / SCHEMBL12466609

SCHEMBL12466609

SCHEMBL12466609

CCOC(=O)c1cc(C#N)c(SC)nc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.79
▸ GAA P10253 2/20 0.79
▸ ALDH1A1 P00352 11/20 0.67
▸ KDM4E B2RXH2 8/20 0.67
▸ TDP1 Q9NUW8 4/20 0.67
▸ HSD17B10 Q99714 5/20 0.66
▸ MAPT P10636 3/20 0.66
▸ NPSR1 Q6W5P4 3/20 0.66
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ CASP1 P29466 1/20 0.57
▸ POLB P06746 1/20 0.55
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ RAB9A P51151 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ HTT P42858 1/20 0.48

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
SCHEMBL10378034 0.88 L3MBTL1 (1.00) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL10378081 0.87 L3MBTL1 (0.79) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL12466437 0.86 L3MBTL1 (0.77) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL17211693 0.85 ALDH1A1 (0.61) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL17211761 0.85 SMN1; SMN2 (0.61) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL10254012 0.85 KDM4E (0.62) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL10379113 0.84 L3MBTL1 (0.73) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL17294334 0.83 KDM4E (0.64) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL10378283 0.83 L3MBTL1 (0.72) L3MBTL1GAAALDH1A1KDM4ETDP1
SCHEMBL10377776 0.81 ALDH1A1 (1.00) L3MBTL1GAAALDH1A1KDM4ETDP1

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 19 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
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
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 L3MBTL1 2958/4885GAA 4588/4885ALDH1A1 3886/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 L3MBTL1 4865/4885GAA 1471/4885ALDH1A1 2415/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR L3MBTL1 4451/4885GAA 2557/4885ALDH1A1 998/4885
US-20130172360-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 L3MBTL1 4865/4885GAA 1471/4885ALDH1A1 2415/4885

“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.