SCHEMBL5316992

SCHEMBL5316992

O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccncc4nc3-c3ccccc3)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.84
AKT2 P31751 12/20 0.84
AKT3 Q9Y243 7/20 0.84
TDP1 Q9NUW8 1/20 0.65
RUVBL1 Q9Y265 1/20 0.65
OPRM1 P35372 1/20 0.64
OPRK1 P41145 1/20 0.64
OPRL1 P41146 1/20 0.64

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
SCHEMBL5366690 1.00 AKT1 (0.84) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL5348455 0.92 AKT1 (1.00) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL13711139 0.88 AKT1 (0.84) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL29388417 0.87 AKT1 (0.87) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL5645940 0.87 AKT1 (0.87) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL1434365 0.86 AKT1 (0.86) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL5313477 0.86 AKT1 (0.84) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL14501032 0.86 AKT1 (0.84) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL14501018 0.85 AKT1 (0.83) AKT1AKT2AKT3TDP1RUVBL1
SCHEMBL14501020 0.85 AKT1 (0.83) AKT1AKT2AKT3TDP1RUVBL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP claimed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US claimed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 US claimed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 EP claimed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US claimed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 WO 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-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-20060142178-A1 Method of treating cancer BARNETT STANLEY F 2006-06-29 US disclosed
US-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 US disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 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 (7 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 1108/4885AKT3 791/4885
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 1108/4885AKT3 791/4885
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 1108/4885AKT3 791/4885
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 1108/4885AKT3 791/4885
US-20050222155-A1 Inhibitors of akt activity AKT1, AKT2, AKT3 AKT1 1/4885AKT2 2/4885AKT3 3/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 AKT1 4/4885AKT2 2/4885AKT3 7/4885
US-20060142178-A1 Method of treating cancer PACSIN2, CTTN, TNK2 AKT1 13/4885AKT2 9/4885AKT3 12/4885

“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.