SCHEMBL15415933

SCHEMBL15415933

COc1ccc(CN2CC(C(N)=O)CC2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C19 P33261 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
MAPK1 P28482 2/20 0.58
ALOX15 P16050 1/20 0.58
LMNA P02545 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HSD17B10 Q99714 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
HTT P42858 1/20 0.53

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
SCHEMBL4095420 0.88 SMN1; SMN2 (0.73) ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A
SCHEMBL1710890 0.88 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A
SCHEMBL16485924 0.87 KMT2A (0.53) ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A
SCHEMBL1269684 0.87 CYP3A4 (0.67) ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A
SCHEMBL18820798 0.84 ALDH1A1 (0.72) ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A
SCHEMBL4844448 0.83 HTT (0.58) ALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL2191833 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A
SCHEMBL28882986 0.82 SMN1; SMN2 (0.57) ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A
SCHEMBL2525981 0.82 ALDH1A1 (0.60) ALDH1A1L3MBTL1KMT2ASMN1; SMN2LMNA
SCHEMBL15415176 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C19L3MBTL1KMT2A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052494-B1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-9951064-B2 Azaindazole compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-04-24 US disclosed
US-9951064-B2 Azaindazole compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-04-24 US disclosed
US-9951064-B2 Azaindazole compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-04-24 US disclosed
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-09-08 US disclosed
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-09-08 US disclosed
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-09-08 US disclosed
EP-2872502-B1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
EP-2872502-B1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
EP-3052494-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2016-08-10 EP disclosed
US-9206191-B2 Indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-12-08 US disclosed
US-9206191-B2 Indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-12-08 US disclosed
US-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
US-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
US-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed
EP-2872502-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2015-05-20 EP disclosed
WO-2014210354-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-12-31 WO disclosed
WO-2014210354-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-12-31 WO disclosed
WO-2014009302-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 WO disclosed
WO-2014009302-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 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 (2 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-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection ADORA3, ADORA1, BRS3 ALDH1A1 943/4885CYP3A4 38/4885CYP2C19 91/4885
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS EGFR, ERBB2, ERBB3 ALDH1A1 3405/4885CYP3A4 2764/4885CYP2C19 1538/4885

“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.