SCHEMBL4137873

SCHEMBL4137873

COc1cccc([C@@H](C)NC(=O)Nc2ccc3[nH]nc(N)c3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
ROCK2 O75116 5/20 0.54
ROCK1 Q13464 5/20 0.54
MAPK1 P28482 8/20 0.52
KDR P35968 1/20 0.51
F2 P00734 1/20 0.48
F7 P08709 1/20 0.48
ULK1 O75385 1/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48

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
SCHEMBL16564610 1.00 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2ALMNAPOLB
SCHEMBL4128879 0.88 ULK1 (0.60) MAPK1KDRULK1JAK2JAK1
SCHEMBL4128868 0.88 ULK1 (0.60) MAPK1KDRULK1JAK2JAK1
SCHEMBL4128864 0.88 ULK1 (0.60) MAPK1KDRULK1JAK2JAK1
SCHEMBL4130879 0.86 MAPK1 (0.69) MEN1KMT2AMAPK1KDRULK1
SCHEMBL4130872 0.86 MAPK1 (0.69) MEN1KMT2AMAPK1KDRULK1
SCHEMBL4122655 0.86 MAPK1 (0.69) MEN1KMT2AMAPK1KDRULK1
SCHEMBL12907307 0.84 ROCK2 (0.66) ROCK2ROCK1MAPK1
SCHEMBL12907305 0.84 ROCK2 (0.66) ROCK2ROCK1MAPK1
SCHEMBL4134588 0.82 MEN1 (0.52) MEN1KMT2APOLBHTTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040701-B1 AMINOINDAZOLE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2015-03-18 EP claimed
US-8207210-B2 Aminoindazolylurea derivatives MERCK PATENT GMBH (DE) 2012-06-26 US claimed
US-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US claimed

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 SMN1; SMN2 4645/4885MEN1 4191/4885KMT2A 2034/4885

“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.