SCHEMBL991433

SCHEMBL991433

CC(C)CNc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
ALDH1A1 P00352 3/20 0.60
CYP1A2 P05177 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
HTT P42858 1/20 0.60
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KAT2B Q92831 1/20 0.42
PKM P14618 1/20 0.40
APP P05067 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
RIPK1 Q13546 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL18477376 0.88 MAPT (0.50) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29719317 0.86 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18496385 0.86 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29719344 0.86 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18496248 0.86 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18496253 0.86 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18496246 0.86 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18496355 0.86 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18496256 0.86 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29719385 0.86 MAPT (0.46) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 EP disclosed
CN-109311882-B Adenine derivatives as protein kinase inhibitors BCI制药公司 2022-02-11 CN disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 US disclosed
EP-3452477-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. Pharma (BE) 2019-03-13 EP disclosed
WO-2017191297-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS BCI PHARMA (FR) 2017-11-09 WO disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
US-20110070297-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2011-03-24 US disclosed
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-1948614-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-07-30 EP disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 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 (5 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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 MAPT 3122/4885ALDH1A1 3196/4885CYP1A2 3450/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 MAPT 3122/4885ALDH1A1 3196/4885CYP1A2 3450/4885
US-20070197532-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 MAPT 3294/4885ALDH1A1 1527/4885CYP1A2 2010/4885
US-20110070297-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 MAPT 3294/4885ALDH1A1 1527/4885CYP1A2 2010/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 MAPT 2603/4885ALDH1A1 3631/4885CYP1A2 3740/4885

“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.