Delavirdine

Delavirdine

SCHEMBL328863

CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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The experimentally established mechanism targets of Delavirdine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.63
ABCG2 Q9UNQ0 2/20 0.63
ADRA2A P08913 1/20 0.63
CHRM1 P11229 1/20 0.63
MAOA P21397 1/20 0.63
TBXA2R P21731 1/20 0.63
OPRM1 P35372 1/20 0.63
MDH1 P40925 1/20 0.63
KCNH2 Q12809 1/20 0.63
CYP46A1 Q9Y6A2 7/20 0.45
NR1I2 O75469 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
ADRB1 P08588 1/20 0.45
MAPT P10636 1/20 0.45
CNR1 P21554 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
MAPK1 P28482 1/20 0.45

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
Delavirdine SCHEMBL6939091 0.91 ADORA3 (0.52) ADORA3ABCG2ADRA2ACHRM1MAOA
Delavirdine SCHEMBL29714124 0.80 ADRA2A (1.00) ADORA3ABCG2ADRA2ACHRM1MAOA
Delavirdine SCHEMBL29602259 0.80 ADRA2A (1.00) ADORA3ABCG2ADRA2ACHRM1MAOA
Delavirdine SCHEMBL34420 0.80 ADRA2A (1.00) ADORA3ABCG2ADRA2ACHRM1MAOA
Delavirdine SCHEMBL30803764 0.80 ADRA2A (1.00) ADORA3ABCG2ADRA2ACHRM1MAOA
Delavirdine SCHEMBL3221265 0.79 ADRA2A (0.98) ADORA3ABCG2ADRA2ACHRM1MAOA
Delavirdine SCHEMBL28170537 0.79 ADRA2A (0.98) ADORA3ABCG2ADRA2ACHRM1MAOA
Delavirdine SCHEMBL40522 0.79 ADRA2A (0.98) ADORA3ABCG2ADRA2ACHRM1MAOA
Delavirdine SCHEMBL29585604 0.79 ADRA2A (0.98) ADORA3ABCG2ADRA2ACHRM1MAOA
Delavirdine SCHEMBL29746247 0.78 ADRA2A (0.97) ADORA3ABCG2ADRA2ACHRM1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218377-A1 BISPECIFIC APTAMER FOR TREATING CANCER AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2024-07-04 US disclosed
CN-114727999-A Capsid inhibitors for the prevention of HIV 吉利德科学公司 2022-07-08 CN disclosed
US-11332747-B2 Bispecific aptamer for treating cancer AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2022-05-17 US disclosed
EP-3908314-A1 MULTIMERIZATION OF IL-15/IL-15R-ALPHA-FC COMPLEXES TO ENHANCE IMMUNOTHERAPY Memorial Sloan Kettering Cancer Center (US) 2021-11-17 EP disclosed
US-11110150-B2 Complexes of IL-15 and IL-15Ralpha and uses thereof NOVARTIS AG (CH) 2021-09-07 US disclosed
US-20210162076-A1 Aptamer Compositions and Methods of Use Thereof AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2021-06-03 US disclosed
US-10960086-B2 Aptamer compositions and methods of use thereof AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2021-03-30 US disclosed
WO-2020146835-A1 MULTIMERIZATION OF IL-15/IL-15R-ALPHA-FC COMPLEXES TO ENHANCE IMMUNOTHERAPY MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-07-16 WO disclosed
US-10689654-B2 Bivalent siRNA chimeras and methods of use thereof AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2020-06-23 US disclosed
US-20200157542-A1 Bispecific Aptamer for Treating Cancer UNITED STATES GOVERNMENT 2020-05-21 US disclosed
WO-2010014913-A1 TOLL-LIKE RECEPTOR AGONIST FORMULATIONS AND THEIR USE VENTIRX PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed
US-20100029585-A1 TOLL-LIKE RECEPTOR AGONIST FORMULATIONS AND THEIR USE VENTIRX PHARMACEUTICALS, INC. 2010-02-04 US disclosed
WO-2009136979-A2 COMPOUNDS THAT MODULATE NEGATIVE-SENSE, SINGLE-STRANDED RNA VIRUS REPLICATION AND USES THEREOF MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2009-11-12 WO disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 WO disclosed
WO-2009008924-A2 METHODS OF PREVENTING AND TREATING VIRAL INFECTIONS BY INHIBITING THE DEISGYLATION ACTIVITY OF OTU DOMAIN-CONTAINING VIRAL PROTEINS MOUNT SINAI SCHOOL OF MEDICINE OF NEW YORK UNIVERSITY (US) 2009-01-15 WO disclosed
WO-2008127274-A2 HETEROCYCLIC INHIBITORS OF BACTERIAL PEPTIDYL TRNA HYDROLASE AND USES THEREOF PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
WO-2008127275-A2 PYRROLINONE COMPOUNDS AS INHIBITORS OF BACTERIAL PEPTIDYL TRNA HYDROLASE AND USES THEREOF PTC THERAPEUTICS, INC. (US) 2008-10-23 WO disclosed
WO-2006118916-A2 METHODS AND COMPOSITIONS FOR POLYTOPIC VACCINATION POLYTOPOS, LLC (US) 2006-11-09 WO disclosed
US-20060246081-A1 Methods and compositions for polytopic vaccination POLYTOPOS, LLC 2006-11-02 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 (2 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 ADORA3 1757/4885ABCG2 958/4885ADRA2A 4112/4885
US-20100029585-A1 TOLL-LIKE RECEPTOR AGONIST FORMULATIONS AND THEIR USE TLR8, TLR7, TLR1 ADORA3 442/4885ABCG2 890/4885ADRA2A 387/4885

“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.