Debromohymenialdisine

Debromohymenialdisine

SCHEMBL3577997

NC1=NC(=O)/C(=C2\CCNC(=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 SCHEMBL4303192 1.00 CDK5 (0.70) CDK5CDK5R1CHEK1CCNB2CDK1
Debromohymenialdisine SCHEMBL3578000 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10512633-B2 Alkaloids from sponge, scaffolds for the inhibition of human immunodeficiency virus (HIV) KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2019-12-24 US disclosed
US-20180000787-A1 ALKALOIDS FROM SPONGE, SCAFFOLDS FOR THE INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY 2018-01-04 US disclosed
WO-2016067090-A1 ALKALOIDS FROM SPONGE, SCAFFOLDS FOR THE INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2016-05-06 WO disclosed
EP-1633363-B1 PYRIDINYL ACETONITRILES MERCK SERONO SA (CH) 2012-11-07 EP disclosed
US-8304408-B2 Wnt signaling inhibitors, and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-06 US disclosed
US-8304408-B2 Wnt signaling inhibitors, and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-06 US disclosed
US-7855212-B2 Pyridinyl acetonitriles MERCK SERONO SA (CH) 2010-12-21 US disclosed
US-20100203113-A1 WNT SIGNALLING INHIBITORS, AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-12 US disclosed
US-20100203113-A1 WNT SIGNALLING INHIBITORS, AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-12 US disclosed
US-20080125358-A1 Methods for Chk2 inhibitor patient selection UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL 2008-05-29 US disclosed
US-20080125358-A1 Methods for Chk2 inhibitor patient selection UNIVERSITY OF MASSACHUSETTS MEDICAL SCHOOL 2008-05-29 US disclosed
US-20070248590-A1 Modulators of CDC2-like kinases (CLKS) and methods of use thereof SIRTRIS PHARMACEUTICALS, INC. (US) 2007-10-25 US disclosed
US-20070060594-A1 Pyridinyl acetonitriles APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-03-15 US disclosed
EP-1633363-A1 PYRIDINYL ACETONITRILES Applied Research Systems ARS Holding N.V. (AN) 2006-03-15 EP disclosed
WO-2004098607-A1 PYRIDINYL ACETONITRILES APPLIED RESEARCH SYSTEMS ARS HOLDING N. V. (AN) 2004-11-18 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 (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-20100203113-A1 WNT SIGNALLING INHIBITORS, AND METHODS FOR MAKING AND USING THEM WNT1, DACH1, WNT3A CDK5 1195/4885CDK5R1 1924/4885CHEK1 2039/4885
US-20180000787-A1 ALKALOIDS FROM SPONGE, SCAFFOLDS FOR THE INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) SARS1, BCDIN3D, OCIAD1 CDK5 1031/4885CDK5R1 1556/4885CHEK1 1261/4885
US-20070060594-A1 Pyridinyl acetonitriles GSK3B, GSK3A, MAPK3 CDK5 55/4885CDK5R1 112/4885CHEK1 330/4885
US-10512633-B2 Alkaloids from sponge, scaffolds for the inhibition of human immunodeficiency virus (HIV) SARS1, BCDIN3D, OCIAD1 CDK5 1031/4885CDK5R1 1556/4885CHEK1 1261/4885
US-20080125358-A1 Methods for Chk2 inhibitor patient selection CHEK2, CHEK1, TP53 CDK5 262/4885CDK5R1 376/4885CHEK1 2/4885
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.