SCHEMBL1729310

SCHEMBL1729310

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cc(N3CCOCC3)c(OC(=O)C(F)(F)F)c(C(C)(C)C)c1)C2

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 11/20 0.60
BRAF P15056 5/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAF1 P04049 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33

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
Bromide SCHEMBL1731007 0.92 F2R (0.65) F2RGAAALDH1A1L3MBTL1MEN1
SCHEMBL1729578 0.92 F2R (0.56) F2RBRAFGAAALDH1A1L3MBTL1
SCHEMBL14449142 0.91 F2R (0.69) F2RGAAALDH1A1L3MBTL1MEN1
Bromide SCHEMBL1729157 0.90 F2R (0.69) F2RGAAALDH1A1L3MBTL1MEN1
Trifluoroacetic Acid SCHEMBL1729575 0.90 F2R (0.58) F2RBRAFGAAALDH1A1L3MBTL1
SCHEMBL1730796 0.90 F2R (0.46) F2RALDH1A1SMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL1729309 0.89 F2R (0.55) F2RBRAFGAAALDH1A1L3MBTL1
Bromide SCHEMBL5491806 0.89 F2R (0.61) F2RGAAALDH1A1L3MBTL1MEN1
Bromide SCHEMBL5490738 0.88 F2R (0.59) F2RGAAALDH1A1L3MBTL1MEN1
SCHEMBL1729296 0.87 F2R (0.44) F2RALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 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 (2 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2290/4885BRAF 1151/4885GAA 4867/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885BRAF 1112/4885GAA 4868/4885

“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.