SCHEMBL4123853

SCHEMBL4123853

COc1cccc(CNC(=O)Nc2ccc3c(c2)c(N)nn3C(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.51
ROCK1 Q13464 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 5/20 0.45
POLB P06746 3/20 0.45
USP2 O75604 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CNR1 P21554 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL4116191 0.92 CNR1 (0.54) ROCK2SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3933572 0.86 ROCK2 (0.49) ROCK2ROCK1SMN1; SMN2NAMPTPOLB
SCHEMBL1229210 0.83 ROCK2 (0.51) ROCK2ROCK1SMN1; SMN2POLBUSP2
SCHEMBL3929530 0.79 CNR1 (0.52) ROCK2POLBMEN1KMT2AALDH1A1
SCHEMBL12907088 0.79 MEN1 (0.52) SMN1; SMN2POLBMEN1KMT2ANPC1
SCHEMBL4119234 0.78 KMT2A (0.41) ROCK2ROCK1NAMPTKMT2ARAB9A
SCHEMBL922192 0.77 ANO1 (0.46)
SCHEMBL4128776 0.75 ROCK2 (0.60) ROCK2ROCK1SMN1; SMN2NAMPTMEN1
SCHEMBL1228644 0.73 ROCK2 (0.53) ROCK2ROCK1HIF1A
SCHEMBL4123856 0.73 ROCK2 (0.45) ROCK2ROCK1SMN1; SMN2USP2MEN1

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 454/4885SMN1; SMN2 4645/4885

“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.