SCHEMBL22013572

SCHEMBL22013572

Cc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 0.77
ADORA2B P29275 5/20 0.77
KDM4E B2RXH2 1/20 0.77
PIK3CD O00329 1/20 0.77
GMNN O75496 1/20 0.77
LMNA P02545 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
MAPT P10636 1/20 0.77
CYP2C9 P11712 1/20 0.77
MAPK1 P28482 1/20 0.77
ADORA2A P29274 1/20 0.77
ADORA1 P30542 1/20 0.77
THPO P40225 1/20 0.77
PIK3CA P42336 1/20 0.77
PIK3CB P42338 1/20 0.77
MTOR P42345 1/20 0.77
CSNK1A1 P48729 1/20 0.77
CSNK1D P48730 1/20 0.77

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
SCHEMBL10714670 0.88 ADORA3 (0.80) ADORA3ADORA2BKDM4EPIK3CDGMNN
SCHEMBL31149987 0.88 ADORA3 (0.80) ADORA3ADORA2BKDM4EPIK3CDGMNN
Cgs-15943 SCHEMBL1906971 0.87 ADORA3 (1.00) ADORA3ADORA2BKDM4EPIK3CDGMNN
Cgs-15943 SCHEMBL29372704 0.87 ADORA3 (1.00) ADORA3ADORA2BKDM4EPIK3CDGMNN
SCHEMBL10714623 0.86 ADORA3 (0.77) ADORA3ADORA2BKDM4EPIK3CDGMNN
SCHEMBL10713122 0.85 ADORA3 (0.76) ADORA3ADORA2BKDM4EPIK3CDGMNN
SCHEMBL22013560 0.85 ADORA3 (0.72) ADORA3ADORA2BKDM4EPIK3CDGMNN
SCHEMBL10710951 0.85 ADORA3 (0.72) ADORA3ADORA2BKDM4EPIK3CDGMNN
SCHEMBL24209832 0.84 ADORA3 (0.65) ADORA3ADORA2BKDM4EPIK3CDGMNN
SCHEMBL10714518 0.82 ADORA3 (0.74) ADORA3ADORA2BKDM4EPIK3CDGMNN

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-20220017524-A1 ARYL HYDROCARBON RECEPTOR (AHR) ACTIVATOR COMPOUNDS AS CANCER THERAPEUTICS THE BROAD INSTITUTE, INC. (US) 2022-01-20 US disclosed
WO-2020102506-A1 ARYL HYDROCARBON RECEPTOR (AHR) ACTIVATOR COMPOUNDS AS CANCER THERAPEUTICS THE BROAD INSTITUTE, INC. (US) 2020-05-22 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 (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-20220017524-A1 ARYL HYDROCARBON RECEPTOR (AHR) ACTIVATOR COMPOUNDS AS CANCER THERAPEUTICS AHR, ESRRA, AR ADORA3 25/4885ADORA2B 48/4885KDM4E 2990/4885

“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.