SCHEMBL3060342

SCHEMBL3060342

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.73
ADORA2A P29274 8/20 0.71
ADORA1 P30542 7/20 0.71
CYP3A4 P08684 2/20 0.70
MAPK1 P28482 2/20 0.70
CYP1A2 P05177 1/20 0.70
MAPT P10636 1/20 0.70
LMNA P02545 1/20 0.70
BLM P54132 1/20 0.70
PMP22 Q01453 1/20 0.70
CYP2D6 P10635 1/20 0.70
PKM P14618 1/20 0.70
TSHR P16473 1/20 0.70
NFKB1 P19838 1/20 0.70
ABCG2 Q9UNQ0 1/20 0.70
HTR2C P28335 1/20 0.70
ADORA2B P29275 1/20 0.70
HTR2B P41595 1/20 0.70
RXFP1 Q9HBX9 1/20 0.70
PPARD Q03181 1/20 0.70

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
SCHEMBL3060344 1.00 ADORA3 (0.73) ADORA3ADORA2AADORA1CYP3A4MAPK1
SCHEMBL4345670 0.86 ADORA3 (0.72) ADORA3ADORA2AADORA1CYP3A4MAPK1
SCHEMBL5829486 0.84 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL12501676 0.83 ADORA3 (0.74) ADORA3ADORA2AADORA1CYP3A4MAPK1
SCHEMBL19503866 0.83 ADORA3 (0.75) ADORA3ADORA2AADORA1CYP3A4MAPK1
SCHEMBL18675571 0.82 ADORA3 (1.00) ADORA3ADORA2AADORA1PPARD
Ib-Meca SCHEMBL20905217 0.82 ADORA3 (1.00) ADORA3ADORA2AADORA1CYP3A4MAPK1
Ib-Meca SCHEMBL10089244 0.82 ADORA3 (1.00) ADORA3ADORA2AADORA1CYP3A4MAPK1
Ib-Meca SCHEMBL8922766 0.82 ADORA3 (1.00) ADORA3ADORA2AADORA1CYP3A4MAPK1
Ib-Meca SCHEMBL448115 0.82 ADORA3 (1.00) ADORA3ADORA2AADORA1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790735-B2 Methanocarba cycloalkyl nucleoside analogues THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-09-07 US disclosed
US-20100222369-A1 TREATMENT FOR DRY EYE CONDITIONS CAN-FITE BIOPHARMA LTD. (IL) 2010-09-02 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 (1 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-20100222369-A1 TREATMENT FOR DRY EYE CONDITIONS ADORA3, ADORA2A, ADORA2B ADORA3 1/4885ADORA2A 2/4885ADORA1 4/4885

“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.