SCHEMBL2062255

SCHEMBL2062255

C=CCOc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LIG1 P18858 1/20 0.39
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HPD P32754 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 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
SCHEMBL31357841 0.85 KDM4E (0.43) MAPTSMN1; SMN2L3MBTL1MAPK1MEN1
SCHEMBL11213049 0.83 RAB9A (0.47) CYP3A4CYP2A6MAPTSMN1; SMN2LIG1
SCHEMBL29606398 0.82 ALDH1A1 (0.53) CYP3A4CYP2A6SMN1; SMN2LIG1TSHR
SCHEMBL9868523 0.82 TLR8 (0.41) CYP3A4CYP2A6MAPTSMN1; SMN2LIG1
SCHEMBL9092700 0.81 ALDH1A1 (0.41) CYP3A4CYP2A6MAPTSMN1; SMN2L3MBTL1
SCHEMBL27693986 0.80 L3MBTL1 (0.47) MAPTSMN1; SMN2L3MBTL1HPGDMAPK1
SCHEMBL20423153 0.79 LIG1 (0.50) CYP3A4LIG1TSHRMEN1KMT2A
SCHEMBL30367075 0.79 LIG1 (0.50) CYP3A4LIG1TSHRMEN1KMT2A
SCHEMBL29284850 0.79 GAA (0.40) LIG1TSHRHPGDMAPK1MEN1
SCHEMBL1681560 0.79 HTR2C (0.36) MAPTL3MBTL1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206744-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2021-07-08 US disclosed
US-20210206744-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2021-07-08 US disclosed
WO-2019077344-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2019-04-25 WO disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
CN-102666512-A Novel MEK inhibitors, useful in the treatment of diseases ALLOSTEM THERAPEUTICS LLC 2012-09-12 CN disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
CN-101535276-A 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors CEPHALON INC (US) 2009-09-16 CN disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 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 (3 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET CYP3A4 1129/4885CYP2A6 1969/4885MAPT 3881/4885
US-20210206744-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS BRI3BP, CYP3A4, CYP3A5 CYP3A4 2/4885CYP2A6 130/4885MAPT 2048/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET CYP3A4 1129/4885CYP2A6 1969/4885MAPT 3881/4885

“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.