SCHEMBL16199530

SCHEMBL16199530

N#Cc1cc2c(cc1[N+](=O)[O-])OCCOCCOCCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
GRIA1 P42261 2/20 0.45
GRIA2 P42262 2/20 0.45
GRIA3 P42263 2/20 0.45
GRIA4 P48058 2/20 0.45
GRM6 O15303 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
VCAM1 P19320 2/20 0.44
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL28798270 0.95 MAPT (0.57) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL11697944 0.85 MAPT (0.57) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL19314788 0.82 MAPT (0.42) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL31633231 0.79 MAPT (0.45) MAPTHPGDBLMALDH1A1MEN1
SCHEMBL1625765 0.77 MAPT (0.74) MAPTPOLBALDH1A1MEN1KMT2A
SCHEMBL25387459 0.77 MAPT (0.44) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL25386141 0.76 CYP1A2 (0.41) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL16253983 0.76 MAPT (0.66) MAPTCYP1A2POLBCYP2C9BLM
SCHEMBL25387549 0.76 MAPT (0.53) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL30514043 0.76 MAPT (0.53) MAPTGRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2796461-B1 METHODS OF PREPARING ICOTINIB AND ICOTINIB HYDROCHLORIDE, AND INTERMEDIATES THEREOF BETTA PHARMACEUTICALS CO LTD (CN) 2017-09-06 EP disclosed
US-9085588-B2 Methods of preparing icotinib and icotinib hydrochloride, and intermediates thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2015-07-21 US disclosed
US-9085588-B2 Methods of preparing icotinib and icotinib hydrochloride, and intermediates thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2015-07-21 US disclosed
US-20140343283-A1 METHODS OF PREPARING ICOTINIB AND ICOTINIB HYDROCHLORIDE, AND INTERMEDIATES THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2014-11-20 US disclosed
US-20140343283-A1 METHODS OF PREPARING ICOTINIB AND ICOTINIB HYDROCHLORIDE, AND INTERMEDIATES THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2014-11-20 US disclosed
EP-2796461-A1 METHODS OF PREPARING ICOTINIB AND ICOTINIB HYDROCHLORIDE, AND INTERMEDIATES THEREOF Beta Pharmaceuticals Co., Ltd. (CN) 2014-10-29 EP 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-20140343283-A1 METHODS OF PREPARING ICOTINIB AND ICOTINIB HYDROCHLORIDE, AND INTERMEDIATES THEREOF ABL1, JAK2, ALK MAPT 2646/4885GRIA1 4492/4885GRIA2 4204/4885

“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.