SCHEMBL21101027

SCHEMBL21101027

CCCC(C)c1nc(C(C)(C)C)nc2ccoc12

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL24944130 0.80 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL24943858 0.77 ALDH1A1 (0.41) USP2ALDH1A1LMNATP53MAPT
SCHEMBL21101028 0.72 ADORA2A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL20618619 0.71 ALDH1A1 (0.31) USP2ALDH1A1LMNATP53MAPT
SCHEMBL21341741 0.71 ALDH1A1 (0.31) USP2ALDH1A1LMNATP53MAPT
SCHEMBL20618771 0.69
SCHEMBL20618768 0.69
SCHEMBL24944131 0.67 LMNA (0.33) LMNA
SCHEMBL20618763 0.66 TP53 (0.33) TP53
SCHEMBL24732986 0.65

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 USP2 3151/4885ALDH1A1 4513/4885LMNA 1339/4885

“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.