Sugi Predict

Sugi Predict / Compounds / Debromohymenialdisine

Debromohymenialdisine

Debromohymenialdisine

SCHEMBL3578000

NC1=NC(=O)C(=C2CCNC(=O)c3[nH]ccc32)N1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 8/20 0.70
▸ CDK5R1 Q15078 8/20 0.70
▸ CHEK1 O14757 8/20 0.70
▸ CCNB2 O95067 7/20 0.70
▸ CDK1 P06493 7/20 0.70
▸ CCNB1 P14635 7/20 0.70
▸ CCNB3 Q8WWL7 7/20 0.70
▸ CHEK2 O96017 7/20 0.70
▸ MAP2K1 Q02750 4/20 0.70
▸ MAPK1 P28482 4/20 0.70
▸ RAF1 P04049 3/20 0.70
▸ PRKCB P05771 4/20 0.61
▸ PRKCA P17252 4/20 0.61
▸ PRKD3 O94806 3/20 0.61
▸ PRKCG P05129 3/20 0.61
▸ PRKCH P24723 3/20 0.61
▸ PRKCI P41743 3/20 0.61
▸ PRKCE Q02156 3/20 0.61
▸ PRKCQ Q04759 3/20 0.61
▸ PRKCZ Q05513 3/20 0.61

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
Debromohymenialdisine SCHEMBL3577997 1.00 CDK5 (0.70) CDK5CDK5R1CHEK1CCNB2CDK1
Debromohymenialdisine SCHEMBL4303192 1.00 CDK5 (0.70) CDK5CDK5R1CHEK1CCNB2CDK1
Debromohymenialdisine SCHEMBL29358509 0.83 CDK5 (1.00) CDK5CDK5R1CHEK1CCNB2CDK1
Debromohymenialdisine SCHEMBL30092237 0.83 CDK5 (1.00) CDK5CDK5R1CHEK1CCNB2CDK1
Hymenialdisine SCHEMBL1249687 0.79 CHEK2 (0.74) CDK5CDK5R1CHEK1CCNB2CDK1
Hymenialdisine SCHEMBL1249686 0.79 CHEK2 (0.74) CDK5CDK5R1CHEK1CCNB2CDK1
Hymenialdisine SCHEMBL155899 0.79 CHEK2 (0.74) CDK5CDK5R1CHEK1CCNB2CDK1
SCHEMBL1250329 0.77 CDK5 (0.73) CDK5CDK5R1CHEK1CCNB2CDK1
SCHEMBL1250325 0.77 CDK5 (0.73) CDK5CDK5R1CHEK1CCNB2CDK1
Spongiacidin C SCHEMBL22480163 0.76 PRKD3 (1.00) CDK5CDK5R1CHEK1CCNB2CDK1

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2009-12-17 — — US claimed
EP-1430120-A4 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON INC (CH) 2007-06-20 — — EP claimed
EP-1430120-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA Alcon, Inc. (CH) 2004-06-23 — — EP claimed
EP-1106180-B1 Use of hymenialdisine or derivatives thereof in the manufacture of medicaments CENTRE NAT RECH SCIENT (FR) 2003-11-12 — — EP claimed
WO-2003027275-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA ALCON, INC. (CH) 2003-04-03 — — WO claimed
EP-0630245-B1 PROTEIN KINASE C INHIBITOR SMITHKLINE BEECHAM CORP (US) 1999-01-20 — — EP claimed
US-5616577-A Protein Kinase C inhibitor SMITHKLINE BEECHAM CORPORATION 1997-04-01 — — US claimed
US-5565448-A Medicament SMITHKLINE BEECHAM CORPORATION (US) 1996-10-15 — — US claimed
EP-0630245-A1 PROTEIN KINASE C INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 1994-12-28 — — EP claimed
EP-0630245-A4 PROTEIN KINASE C INHIBITOR. SMITHKLINE BEECHAM CORP (US) 1994-11-02 — — EP claimed
WO-1993016703-A1 PROTEIN KINASE C INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 — — WO claimed
US-20240000821-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER UNIV JOHNS HOPKINS (US) 2024-01-04 — — US disclosed
US-11541037-B2 Alkaloids from sponge, scaffolds for the inhibition of human immunodeficiency virus (HIV) KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2023-01-03 — — US disclosed
EP-3210017-B1 ALKALOIDS FROM SPONGE, SCAFFOLDS FOR THE INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) UNIV KING ABDULLAH SCI & TECH (SA) 2021-10-06 — — EP disclosed
US-20200188359-A1 ALKALOIDS FROM SPONGE, SCAFFOLDS FOR THE INHIBITIION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2020-06-18 — — US disclosed
US-5565448-A Medicament SMITHKLINE BEECHAM CORPORATION (US) 1996-10-15 — — US disclosed
EP-0711773-A1 HYMENIALDISINE AND DERIVATIVE THEREOF, PROCESS FOR PRODUCING INTERMEDIATE FOR SYNTHESIZING THE SAME, AND SAID INTERMEDIATE SUNTORY LIMITED (JP) 1996-05-15 — — EP disclosed
EP-0630245-A1 PROTEIN KINASE C INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 1994-12-28 — — EP disclosed
EP-0630245-A4 PROTEIN KINASE C INHIBITOR. SMITHKLINE BEECHAM CORP (US) 1994-11-02 — — EP disclosed
WO-1993016703-A1 PROTEIN KINASE C INHIBITOR SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 — — 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 (3 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-20090312390-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) FOR TREATING GLAUCOMA GSK3B, GSK3A, GSKIP CDK5 367/4885CDK5R1 778/4885CHEK1 650/4885
US-11541037-B2 Alkaloids from sponge, scaffolds for the inhibition of human immunodeficiency virus (HIV) SARS1, BCDIN3D, OCIAD1 CDK5 1031/4885CDK5R1 1556/4885CHEK1 1261/4885
US-20200188359-A1 ALKALOIDS FROM SPONGE, SCAFFOLDS FOR THE INHIBITIION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) DHPS, OCIAD1, BCDIN3D CDK5 1036/4885CDK5R1 1741/4885CHEK1 998/4885

“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.