SCHEMBL2062200

SCHEMBL2062200

COc1ccc2c(c1[N+](=O)[O-])CCC(=O)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 5/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.37
USP2 O75604 1/20 0.36
S100A4 P26447 1/20 0.36
HTR2A P28223 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
SCHEMBL2942855 0.89 MEN1 (0.41) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL8730062 0.84 TDP1 (0.45) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL2061726 0.78 HTR2A (0.42) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL4688521 0.76 KDM4E (0.49) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL3597388 0.76 HTR2C (0.47) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL2061956 0.76 MTNR1A (0.53) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL2061641 0.74 MEN1 (0.38) KDM4ETDP1POLBCTDSP1L3MBTL1
SCHEMBL14495088 0.74 MCL1 (0.43) TDP1POLBKMT2AALDH1A1GAA
SCHEMBL5143947 0.73 KDM4E (0.61) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL1179747 0.73 TDP1 (0.62) KDM4ETDP1POLBCTDSP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US 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

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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET KDM4E 729/4885TDP1 1885/4885POLB 2680/4885

“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.