Sugi Predict

Sugi Predict / Compounds / SCHEMBL5315588

SCHEMBL5315588

SCHEMBL5315588

c1ccc(-c2nc3ccccc3nc2-c2ccc(CN3CCC(c4c[nH]c5ccccc45)C3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.53
▸ AKT1 P31749 3/20 0.52
▸ AKT2 P31751 2/20 0.52
▸ AKT3 Q9Y243 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ OPRM1 P35372 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ OPRL1 P41146 1/20 0.50
▸ HDAC1 Q13547 2/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ HDAC9 Q9UKV0 1/20 0.49
▸ HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL7943390 0.84 OPRM1 (0.66) CYP2D6OPRM1OPRK1OPRL1HDAC1
SCHEMBL9032088 0.79 OPRM1 (0.75) CYP2D6OPRM1OPRK1OPRL1HDAC1
SCHEMBL8917214 0.74 OPRM1 (0.68) CYP2D6OPRM1OPRK1OPRL1HDAC1
SCHEMBL18409477 0.73 ADRA1D (0.50) CYP2D6OPRM1OPRK1OPRL1ADRA1D
SCHEMBL6785509 0.73 HDAC1 (0.67) OPRM1OPRK1OPRL1HDAC1KCNH2
SCHEMBL5259624 0.73 AKT1 (0.50) HTR2BAKT1AKT2AKT3KCNH2
SCHEMBL19210848 0.72 KDM4E (0.70) CYP2D6KDM4EATMADRA1D
SCHEMBL31328459 0.71 ADRA1D (0.55) CYP2D6OPRM1OPRK1OPRL1HDAC1
SCHEMBL11007679 0.71 ALDH1A1 (0.62) CYP2D6ADRA1D
SCHEMBL14306777 0.71 ADRA1D (0.80) CYP2D6KDM4EATMADRA1D

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
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
EP-1496896-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 — — EP 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-20050222155-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2005-10-06 — — US disclosed
EP-1496896-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2005-01-19 — — EP disclosed
WO-2003086394-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2003-10-23 — — 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-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 HTR2B 3714/4885AKT1 829/4885AKT2 1108/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 HTR2B 3714/4885AKT1 829/4885AKT2 1108/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 HTR2B 3714/4885AKT1 829/4885AKT2 1108/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 HTR2B 3714/4885AKT1 829/4885AKT2 1108/4885
US-20050222155-A1 Inhibitors of akt activity AKT1, AKT2, AKT3 HTR2B 4202/4885AKT1 1/4885AKT2 2/4885

“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.