SCHEMBL21101028

SCHEMBL21101028

CCCC(C)c1nc(C(C)(C)C)nc2ccsc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.47
ADORA1 P30542 8/20 0.47
PDE7A Q13946 5/20 0.36
PDE4B Q07343 4/20 0.35
PDE7B Q9NP56 1/20 0.35
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
ADORA3 P0DMS8 2/20 0.33
ADORA2B P29275 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32

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
SCHEMBL24174401 0.82 ADORA2A (0.54) ADORA2AADORA1PDE7APDE4BPDE7B
SCHEMBL24944131 0.78 LMNA (0.33) ADORA2AADORA1ELANE
SCHEMBL20618771 0.78
SCHEMBL24943858 0.74 ALDH1A1 (0.41) ADORA2AL3MBTL1
SCHEMBL18924297 0.74 AXL (0.45) ADORA2AADORA1PDE7APDE4BPDE7B
SCHEMBL14511639 0.73 ADORA2A (0.54) ADORA2AADORA1PDE7APDE4BPDE4A
SCHEMBL21101027 0.72 USP2 (0.31) PDE4BPDE4APDE4CPDE4D
SCHEMBL10139170 0.71 ADORA2A (0.58) ADORA2AADORA1PDE7AADORA3ADORA2B
SCHEMBL24170309 0.69 ADORA2A (0.56) ADORA2AADORA1PDE7AADORA2B
SCHEMBL18701478 0.69 ADORA2A (0.56) ADORA2AADORA1PDE7AADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 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-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 ADORA2A 3025/4885ADORA1 3254/4885PDE7A 162/4885

“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.