Ib-Meca

Ib-Meca

SCHEMBL465039

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

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 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 SCHEMBL10089244 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 112 patents — showing the first 20. 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 claimed
US-10620222-B2 Electrified compositions for determining the risk of developing adolescent idiopathic scoliosis through the use of GI protein receptor CHU SAINTE-JUSTINE (CA) 2020-04-14 US claimed
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2020-03-26 US claimed
US-10265337-B2 Use of A3 adenosine receptor agonist in osteoarthritis treatment CAN-FITE BIOPHARMA LTD. (IL) 2019-04-23 US claimed
US-20190111069-A1 Adenosine Receptor Modulators for the Treatment of Circadian Rhythm Disorders OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-04-18 US claimed
US-20180344655-A1 FUNCTIONALIZED POLYMERIC PARTICLES FOR TREATMENT OF GLIOMAS YALE UNIVERSITY 2018-12-06 US claimed
US-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION (US) 2017-03-30 US claimed
US-20160263142-A1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT CAN-FITE BIOPHARMA LTD. (IL) 2016-09-15 US claimed
US-9387220-B2 Method for inducing hepatocyte proliferation and uses thereof CAN-FITE BIOPHARMA LTD. (IL) 2016-07-12 US claimed
US-20160146839-A1 METHODS FOR THE CLASSIFICATION AND DIAGNOSIS OF SCOLIOSIS THROUGH THE USE OF GI PROTEIN RECEPTOR CHU SAINTE-JUSTINE (CA) 2016-05-26 US claimed
EP-2227234-A1 METHOD FOR INDUCING HEPATOCYTE PROLIFERATION AND USES THEREOF Can-Fite Biopharma Ltd. (IL) 2010-09-15 EP claimed
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES INCYTE CORPORATION 2010-05-06 US claimed
WO-2010040234-A1 METHODS FOR THE CLASSIFICATION AND DIAGNOSIS OF SCOLIOSIS CHU SAINTE-JUSTINE (CA) 2010-04-15 WO claimed
US-7589075-B2 Use of an adenosine A3 receptor agonist for inhibition of viral replication CAN-FITE BIOPHARMA LTD. (IL) 2009-09-15 US claimed
WO-2009050707-A1 METHOD FOR INDUCING HEPATOCYTE PROLIFERATION AND USES THEREOF CAN-FITE BIOPHARMA LTD. (IL) 2009-04-23 WO claimed
US-7064112-B1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist CAN-FITE BIOPHARMA LTD. (IL) 2006-06-20 US claimed
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist CAN-FITE BIOPHARMA LTD. (IL) 2006-04-20 US claimed
EP-1365776-B1 USE OF AN ADENOSINE A3 RECEPTOR AGONIST FOR INHIBITION OF VIRAL REPLICATION CAN FITE BIOPHARMA LTD (IL) 2005-04-13 EP claimed
US-20040106572-A1 Use of an adenosine a3 receptor agonist for inhibition of viral replication CAN-FITE BIOPHARMA LTD. (IL) 2004-06-03 US claimed
US-20020115635-A1 Modulation of GSK-3beta activity and its different uses CAN-FITE TECHNOLOGIES LTD. (IL) 2002-08-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20040106572-A1 Use of an adenosine a3 receptor agonist for inhibition of viral replication ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA1 3/4885CYP3A4 1255/4885
US-20170087158-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 ADORA3 2713/4885ADORA1 2816/4885CYP3A4 2434/4885
US-20160263142-A1 USE OF A3 ADENOSINE RECEPTOR AGONIST IN OSTEOARTHRITIS TREATMENT ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA1 3/4885CYP3A4 2407/4885
US-20100113416-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 ADORA3 4004/4885ADORA1 4317/4885CYP3A4 3031/4885
US-20210106605-A1 Adenosine Receptor Modulators for the Treatment of Circadian Rhythm Disorders ADORA2A, ADORA2B, ADORA3 ADORA3 3/4885ADORA1 4/4885CYP3A4 1273/4885
US-20200093825-A1 JANUS KINASE INHIBITORS FOR TREATMENT OF DRY EYE AND OTHER EYE RELATED DISEASES JAK1, JAK3, JAK2 ADORA3 4004/4885ADORA1 4317/4885CYP3A4 3031/4885
US-20180344655-A1 FUNCTIONALIZED POLYMERIC PARTICLES FOR TREATMENT OF GLIOMAS PHLPP1, PHLPP2, PLAA ADORA3 32/4885ADORA1 39/4885CYP3A4 4766/4885
US-20190111069-A1 Adenosine Receptor Modulators for the Treatment of Circadian Rhythm Disorders ADORA2A, ADORA2B, ADORA3 ADORA3 3/4885ADORA1 4/4885CYP3A4 1273/4885
US-10265337-B2 Use of A3 adenosine receptor agonist in osteoarthritis treatment ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA1 3/4885CYP3A4 2407/4885
US-20060084626-A1 Pharmaceutical compositions comprising an adenosine receptor agonist or antagonist ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA1 3/4885CYP3A4 3142/4885

“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.