SCHEMBL4123856

SCHEMBL4123856

COc1cccc(CNC(=O)Nc2ccc3c(c(N)nn3C(=O)O)c2C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.45
ROCK1 Q13464 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ANPEP P15144 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
ADORA2A P29274 1/20 0.42
ATG4B Q9Y4P1 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4116192 0.91 CNR1 (0.47) MEN1KMT2AHTT
SCHEMBL4123853 0.73 ROCK2 (0.51) ROCK2ROCK1ALDH1A1MEN1LMNA
SCHEMBL3815151 0.69 ALDH1A1 (0.72) ROCK2ALDH1A1MEN1LMNAGAA
SCHEMBL3933572 0.68 ROCK2 (0.49) ROCK2ROCK1ALDH1A1MEN1LMNA
SCHEMBL7557718 0.68 CFD (0.69) ROCK2ALDH1A1MEN1LMNAGAA
SCHEMBL13234464 0.67 RAF1 (0.62) ROCK2ROCK1ALDH1A1MEN1LMNA
SCHEMBL23771131 0.67 ALDH1A1 (0.65) ROCK2ALDH1A1MEN1LMNAGAA
SCHEMBL77629 0.66 ROCK1 (0.68) ROCK2ROCK1ALDH1A1MEN1LMNA
SCHEMBL13853495 0.66 ALDH1A1 (0.67) ROCK2ALDH1A1MEN1LMNAGAA
SCHEMBL2931410 0.65 MMP13 (0.70) ALDH1A1MEN1LMNAKMT2AKDM4E

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-8207210-B2 Aminoindazolylurea derivatives MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 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-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES SGK2, SGK1, SGK3 ROCK2 635/4885ROCK1 454/4885ALDH1A1 2271/4885

“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.