SCHEMBL4116192

SCHEMBL4116192

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA4 P22748 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
TP53 P04637 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL4123856 0.91 ROCK2 (0.45) KMT2AMEN1HTT
SCHEMBL4116191 0.75 CNR1 (0.54) CNR1KMT2AMEN1HTT
SCHEMBL3929530 0.70 CNR1 (0.52) CNR1KMT2AMEN1HTTMTNR1A
SCHEMBL13853575 0.67 CNR1 (0.67) CNR1HTTCA1CA2CA7
SCHEMBL2205978 0.67 MTNR1A (0.65) CNR1KMT2AMEN1HTTCA1
SCHEMBL4123853 0.67 ROCK2 (0.51) CNR1KMT2AMEN1
SCHEMBL18997630 0.66 MTNR1A (0.62) CNR1HTTCA1CA2MTNR1A
SCHEMBL3150231 0.66 P2RY1 (0.66)
SCHEMBL12935919 0.66 MTNR1A (0.60) CNR1HTTCA1CA2CA7
SCHEMBL875811 0.66 MTNR1A (0.63) CNR1HTTCA1CA2CA7

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 CNR1 2880/4885KMT2A 2034/4885MEN1 4191/4885

“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.