SCHEMBL21644444

SCHEMBL21644444

CC(C)(C)OC(=O)c1cnc(CBr)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HPGDS O60760 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
GABRA1 P14867 6/20 0.32
GABRG2 P18507 6/20 0.32
GABRB3 P28472 6/20 0.32
GABRA3 P34903 6/20 0.32
GABRA2 P47869 6/20 0.32
GABRA5 P31644 5/20 0.32
GABRA6 Q16445 4/20 0.32

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
SCHEMBL11678938 0.83 ALDH1A1 (0.49) ALDH1A1HPGDSCDC7DBF4CCNB2
SCHEMBL16761206 0.82 FFAR2 (0.39) ALDH1A1CDC7DBF4HCAR2HDAC6
SCHEMBL21912862 0.80 ALDH1A1 (0.55) ALDH1A1HPGDSCDC7DBF4CCNB2
SCHEMBL1646493 0.79 CDC7 (0.55) ALDH1A1CDC7DBF4GABRA1GABRG2
SCHEMBL2552716 0.77 HCAR2 (0.56) ALDH1A1HPGDSCDC7DBF4CCNB2
SCHEMBL28917726 0.76 ALDH1A1 (0.54) ALDH1A1HPGDSCDC7DBF4CCNB2
SCHEMBL2030310 0.76 ALDH1A1 (0.54) ALDH1A1HPGDSGABRA1GABRG2GABRB3
SCHEMBL12271742 0.76 ALDH1A1 (0.43) ALDH1A1CCNB2CCNE2CDK1CDK4
SCHEMBL7841478 0.74 HCAR2 (0.52) ALDH1A1HCAR2HDAC6
SCHEMBL12271433 0.74 ALDH1A1 (0.52) ALDH1A1HPGDSCDC7DBF4CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142524-B2 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics Stingray Therapeutics, Inc. (US) 2021-10-12 US disclosed
CN-112996496-A substituted-3H-imidazo [4,5-c ] pyridines and 1H-pyrrolo [2,3-c ] pyridines as novel ectonucleotide pyrophosphatase/phosphodiesterase-1 (ENPP1) and interferon gene Stimulator (STING) modulators for cancer immunotherapy 斯汀格瑞治疗股份有限公司 2021-06-18 CN disclosed
EP-3829561-A1 SUBSTITUTED-3H-IMIDAZO[4,5-C]PYRIDINE AND 1H PYRROLO[2,3-C]PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATORS AS CANCER IMMUNOTHERAPEUTICS Stingray Therapeutics, Inc. (US) 2021-06-09 EP disclosed
US-20200039979-A1 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and Stimulator for Interferon Genes (STING) modulators as cancer immunotherapeutics Stingray Therapeutics, Inc. 2020-02-06 US disclosed
WO-2020028724-A1 SUBSTITUTED-3H-IMIDAZO[4,5-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE SERIES OF NOVEL ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE-1 (ENPP1) AND STIMULATOR FOR INTERFERON GENES (STING) MODULATORS AS CANCER IMMUNOTHERAPEUTICS Stingray Therapeutics, Inc. (US) 2020-02-06 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-20200039979-A1 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and Stimulator for Interferon Genes (STING) modulators as cancer immunotherapeutics STING1, ENPP1, CGAS ALDH1A1 3527/4885HPGDS 233/4885CDC7 2142/4885
US-11142524-B2 Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and stimulator for interferon genes (STING) modulators as cancer immunotherapeutics STING1, ENPP1, CGAS ALDH1A1 3527/4885HPGDS 233/4885CDC7 2142/4885

“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.