SCHEMBL4134609

SCHEMBL4134609

CC(C)(C)OC(=O)n1nc(NC(=O)c2cccc(Cl)c2)c2cc(NC(=O)NCc3cc(F)ccc3F)ccc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TRPV1 Q8NER1 4/20 0.38
ANO1 Q5XXA6 1/20 0.37
MAP2K4 P45985 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
NAMPT P43490 2/20 0.37
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.36
IDH1 O75874 1/20 0.36

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
SCHEMBL3927570 0.89 RAB9A (0.38) RAB9ANPC1SMN1; SMN2TRPV1PKM
SCHEMBL4119234 0.82 KMT2A (0.41) RAB9AANO1MAP2K4PKMMAPK1
SCHEMBL4117392 0.76 JAK2 (0.55) RAB9AMAPK1NAMPT
SCHEMBL1456541 0.74 WDR5 (0.48) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL3935784 0.72 KMT2A (0.40) RAB9AANO1PKMMAPK1KMT2A
SCHEMBL18108638 0.69 KDM4E (0.46) RAB9ANPC1SMN1; SMN2MAP2K4MAPK1
SCHEMBL923468 0.69 CA1 (0.45) NPC1SMN1; SMN2MAP2K4KMT2AIDO1
SCHEMBL3517026 0.67 MAP2K4 (0.46) RAB9ANPC1MAP2K4PKMMAPK1
SCHEMBL29746805 0.66 BCL6 (0.38) RAB9ANPC1MAP2K4KMT2AALDH1A1
SCHEMBL30070444 0.66 BCL6 (0.38) RAB9ANPC1MAP2K4KMT2AALDH1A1

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 8 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 disclosed
US-8207210-B2 Aminoindazolylurea derivatives MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
US-8207210-B2 Aminoindazolylurea derivatives MERCK PATENT GMBH (DE) 2012-06-26 US disclosed
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
US-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US disclosed
US-20090253767-A1 AMINOINDAZOLYLUREA DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 US disclosed
WO-2008009335-A2 AMINOINDAZOLE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2008-01-24 WO 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 RAB9A 3528/4885NPC1 3287/4885SMN1; 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.