SCHEMBL21100830

SCHEMBL21100830

CC(C)(C)OC(=O)n1ccc2cc(Nc3ccnc(Cl)n3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.41
PIK3CD O00329 2/20 0.41
ABL1 P00519 2/20 0.41
HCK P08631 2/20 0.41
SRC P12931 2/20 0.41
KDR P35968 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
EPHB4 P54760 2/20 0.41
PRKDC P78527 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
ROCK2 O75116 5/20 0.39
GRM4 Q14833 2/20 0.38
ROCK1 Q13464 5/20 0.37
CHEK2 O96017 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KA3 P51812 1/20 0.37
PAK1 Q13153 1/20 0.37

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
SCHEMBL17025824 0.82 ROCK2 (0.54) EGFRROCK2ROCK1CHEK2PRKACA
SCHEMBL588615 0.79 AAK1 (0.38) EGFRKDRROCK2ROCK1CHEK2
SCHEMBL4279486 0.79 KDR (0.42) EGFRPIK3CDABL1HCKSRC
SCHEMBL17782354 0.78 NR1H2 (0.42) EGFRPIK3CDABL1HCKSRC
SCHEMBL29472292 0.77 PIK3CD (0.44) EGFRPIK3CDABL1HCKSRC
SCHEMBL3044085 0.75 PIK3CD (0.43) EGFRPIK3CDABL1HCKSRC
SCHEMBL4980450 0.75 BRAF (0.46) SRCKDR
SCHEMBL2006239 0.74 OXER1 (0.50) EGFRPIK3CDABL1HCKSRC
SCHEMBL29829168 0.74 OXER1 (0.50) EGFRPIK3CDABL1HCKSRC
SCHEMBL17261087 0.74 MAPKAPK2 (0.47) ROCK1SYK

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 EGFR 2445/4885PIK3CD 469/4885ABL1 232/4885

“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.