SCHEMBL867476

SCHEMBL867476

NCc1ccc(-c2nc3ncc(-c4ccccc4)n3cc2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.43
AKT2 P31751 10/20 0.43
TAAR1 Q96RJ0 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SGK1 O00141 1/20 0.40
FYN P06241 1/20 0.39
BRAF P15056 1/20 0.39
CHEK1 O14757 2/20 0.39
CHEK2 O96017 1/20 0.39
ABL1 P00519 1/20 0.39
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38
MERTK Q12866 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
SCHEMBL867774 0.77 AKT1 (0.66) AKT1AKT2
SCHEMBL868418 0.77 TAAR1 (0.42) AKT1AKT2TAAR1SGK1ADORA1
SCHEMBL868851 0.74 AKT1 (0.54) AKT1AKT2TAAR1
SCHEMBL868532 0.74 AKT1 (0.50) AKT1AKT2
SCHEMBL362532 0.73 AKT1 (0.62) AKT1AKT2
SCHEMBL539116 0.71 AKT1 (0.49) AKT1AKT2TAAR1SGK1BRAF
SCHEMBL15106648 0.71 AKT1 (0.47) AKT1AKT2CHEK1
SCHEMBL364048 0.70 AKT1 (0.63) AKT1AKT2
SCHEMBL2977537 0.68 AKT1 (0.41) AKT1AKT2
SCHEMBL2979576 0.68 AKT1 (0.47) AKT1AKT2ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US claimed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-13 US disclosed
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS INC (CA) 2018-03-15 US disclosed
WO-2017075052-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2017-05-04 WO disclosed
US-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 US 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-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AKT1 829/4885AKT2 1108/4885TAAR1 4177/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 AKT1 829/4885AKT2 1108/4885TAAR1 4177/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AKT1 829/4885AKT2 1108/4885TAAR1 4177/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AKT1 829/4885AKT2 1108/4885TAAR1 4177/4885
US-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB AKT1 11/4885AKT2 7/4885TAAR1 4818/4885

“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.