SCHEMBL23083086

SCHEMBL23083086

CCOc1nc2cccc(C(C)(C)C)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.52
CYP3A4 P08684 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
ADRA2B P18089 2/20 0.52
SLC6A2 P23975 2/20 0.52
AGTR1 P30556 2/20 0.52
PPARG P37231 2/20 0.52
HTR2B P41595 2/20 0.52
PDE3A Q14432 2/20 0.52
ABCB11 O95342 1/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
CYP2C9 P11712 1/20 0.52
ADRB3 P13945 1/20 0.52
TBXAS1 P24557 1/20 0.52
HTR2C P28335 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
NAE1 Q13564 4/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL22855845 0.88 AGTR2 (0.54) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL23083143 0.86 AGTR2 (0.53) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL4540588 0.86 AGTR2 (0.55) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL23083038 0.85 AGTR2 (0.61) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL4543320 0.85 AGTR2 (0.53) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
Candesartan SCHEMBL19357208 0.84 AGTR1 (0.73) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
Candesartan SCHEMBL3938 0.84 AGTR1 (0.73) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
Candesartan SCHEMBL29508236 0.84 AGTR1 (0.73) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
Candesartan SCHEMBL29682351 0.84 AGTR1 (0.73) AGTR2CYP3A4ADORA3ADRA2BSLC6A2
SCHEMBL13302628 0.84 AGTR2 (0.63) AGTR2CYP3A4ADORA3ADRA2BSLC6A2

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-20220175667-A1 Extracellular Matrices, Uses Thereof, and Methods of Making Extracellular Matrices THE JOHNS HOPKINS UNIVERSITY 2022-06-09 US disclosed
US-20210069375-A1 Extracellular Matrices, Uses thereof, and Method for Making Extracellular Matrices THE JOHNS HOPKINS UNIVERSITY 2021-03-11 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-20210069375-A1 Extracellular Matrices, Uses thereof, and Method for Making Extracellular Matrices MMP1, MATR3, COL1A1 AGTR2 4283/4885CYP3A4 2883/4885ADORA3 2833/4885
US-20220175667-A1 Extracellular Matrices, Uses Thereof, and Methods of Making Extracellular Matrices EPCAM, CD44, MATR3 AGTR2 4168/4885CYP3A4 2605/4885ADORA3 2995/4885

“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.