Ib-Meca

Ib-Meca

SCHEMBL10089244

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 1.00
ADORA1 P30542 3/20 1.00
CYP3A4 P08684 2/20 1.00
MAPK1 P28482 2/20 1.00
ADORA2A P29274 2/20 1.00
ADORA2B P29275 2/20 1.00
CYP1A2 P05177 1/20 1.00
MAPT P10636 1/20 1.00
LMNA P02545 1/20 1.00
BLM P54132 1/20 1.00
PMP22 Q01453 1/20 1.00
CYP2D6 P10635 1/20 1.00
PKM P14618 1/20 1.00
TSHR P16473 1/20 1.00
NFKB1 P19838 1/20 1.00
ABCG2 Q9UNQ0 1/20 1.00
HTR2C P28335 1/20 1.00
HTR2B P41595 1/20 1.00
RXFP1 Q9HBX9 1/20 1.00

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
Ib-Meca SCHEMBL12265127 1.00 ADORA3 (1.00) ADORA3ADORA1CYP3A4MAPK1ADORA2A
Ib-Meca SCHEMBL29572081 1.00 ADORA3 (1.00) ADORA3ADORA1CYP3A4MAPK1ADORA2A
Ib-Meca SCHEMBL29634441 1.00 ADORA3 (1.00) ADORA3ADORA1CYP3A4MAPK1ADORA2A
Ib-Meca SCHEMBL465039 1.00 ADORA3 (1.00) ADORA3ADORA1CYP3A4MAPK1ADORA2A
Ib-Meca SCHEMBL448115 1.00 ADORA3 (1.00) ADORA3ADORA1CYP3A4MAPK1ADORA2A
Ib-Meca SCHEMBL10089200 1.00 ADORA3 (1.00) ADORA3ADORA1CYP3A4MAPK1ADORA2A
Ib-Meca SCHEMBL29384499 1.00 ADORA3 (1.00) ADORA3ADORA1CYP3A4MAPK1ADORA2A
Ib-Meca SCHEMBL8922766 1.00 ADORA3 (1.00) ADORA3ADORA1CYP3A4MAPK1ADORA2A
Ib-Meca SCHEMBL20905217 1.00 ADORA3 (1.00) ADORA3ADORA1CYP3A4MAPK1ADORA2A
Ib-Meca SCHEMBL29762168 0.94 ADORA3 (0.89) ADORA3ADORA1CYP3A4MAPK1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210106605-A1 Adenosine Receptor Modulators for the Treatment of Circadian Rhythm Disorders OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-04-15 US disclosed
US-20190111069-A1 Adenosine Receptor Modulators for the Treatment of Circadian Rhythm Disorders OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-04-18 US disclosed
WO-2017052322-A1 ADENOSINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT 퓨쳐메디신 주식회사 2017-03-30 WO disclosed
US-8178509-B2 Method to treat sickle cell disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US disclosed
WO-2011143442-A1 A METHOD OF TREATING MULTIPLE SCLEROSIS WITH ADENOSINE RECEPTOR AGONISTS TROVIS PHARMACEUTICALS, LLC. (US) 2011-11-17 WO disclosed
WO-2009089425-A1 INTRATHECAL TREATMENT OF NEUROPATHIC PAIN WITH A2AR AGONISTS PGXHEALTH LLC (US) 2009-07-16 WO disclosed
US-20090181920-A1 INTRATHECAL TREATMENT OF NEUROPATHIC PAIN WITH A2AR AGONISTS PGXHEALTH, LLC (US) 2009-07-16 US disclosed
WO-2008124150-A1 METHOD OF TREATING ENTERITIS, INTESTINAL DAMAGE, AND DIARRHEA FROM C. DIFFICILE WITH AN A2A ADENOSINE RECEPTOR AGONIST UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-16 WO disclosed
US-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-10 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 (4 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-20080009460-A1 METHOD TO TREAT SICKLE CELL DISEASE PDE4A, ADORA2A, PDE4B ADORA3 13/4885ADORA1 18/4885CYP3A4 1470/4885
US-20210106605-A1 Adenosine Receptor Modulators for the Treatment of Circadian Rhythm Disorders ADORA2A, ADORA2B, ADORA3 ADORA3 3/4885ADORA1 4/4885CYP3A4 1273/4885
US-20090181920-A1 INTRATHECAL TREATMENT OF NEUROPATHIC PAIN WITH A2AR AGONISTS ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA1 3/4885CYP3A4 4082/4885
US-20190111069-A1 Adenosine Receptor Modulators for the Treatment of Circadian Rhythm Disorders ADORA2A, ADORA2B, ADORA3 ADORA3 3/4885ADORA1 4/4885CYP3A4 1273/4885

“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.