SCHEMBL2242965

SCHEMBL2242965

COC(=O)c1cc2c(cc1C)OC1(CC1)C(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
ALOX5 P09917 2/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
RAF1 P04049 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
IP6K1 Q92551 1/20 0.31

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
SCHEMBL2243645 0.94 ALDH1A1 (0.39) BRD4ALDH1A1KDM4EALOX5MAPT
SCHEMBL24306858 0.86 PKM (0.40) BRD4ALDH1A1KDM4EALOX5MAPT
SCHEMBL25942010 0.86 GAA (0.39) BRD4ALDH1A1KDM4EMAPTLMNA
SCHEMBL24306365 0.85 GAA (0.34) ALDH1A1KDM4EALOX5SMN1; SMN2RAF1
SCHEMBL2240754 0.84 BRD4 (0.52) BRD4ALDH1A1KDM4EALOX5MAPT
SCHEMBL2239931 0.83 BRD4 (0.39) BRD4ALDH1A1KDM4EALOX5MAPT
SCHEMBL2247042 0.83 CFTR (0.37) BRD4ALDH1A1KDM4EALOX5MAPT
SCHEMBL28965622 0.82 SIRT6 (0.39) BRD4ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL8004920 0.80 ALOX5 (0.54) ALDH1A1KDM4EALOX5MAPTSMN1; SMN2
SCHEMBL30035530 0.80 ALOX5 (0.54) ALDH1A1KDM4EALOX5MAPTSMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-11-16 US disclosed
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-11-16 US disclosed
EP-4219461-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF Medshine Discovery Inc. (CN) 2023-08-02 EP disclosed
WO-2022063094-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF 南京明德新药研发有限公司 2022-03-31 WO disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 BRD4 67/4885ALDH1A1 288/4885KDM4E 2766/4885
US-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF CYP3A7, UGT2B7, SFPQ BRD4 225/4885ALDH1A1 1495/4885KDM4E 2152/4885

“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.