SCHEMBL16199533

SCHEMBL16199533

N#Cc1cc2c(cc1N)OCCOCCOCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
KDM4E B2RXH2 5/20 0.46
GAA P10253 3/20 0.46
MAPKAPK2 P49137 1/20 0.46
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL28798289 0.94 MAPKAPK2 (0.49) MAPTKDM4EGAAMAPKAPK2LMNA
SCHEMBL31633231 0.86 MAPT (0.45) MAPTKDM4EGAAMAPKAPK2LMNA
SCHEMBL1622661 0.82 MAPT (0.43) MAPTKDM4EGAAMAPKAPK2LMNA
SCHEMBL9235864 0.80 NPC1 (0.44) MAPTKDM4EGAAMAPKAPK2LMNA
SCHEMBL19934034 0.80 MAPT (0.60) MAPTKDM4EGAALMNAHTT
SCHEMBL16252949 0.78 MAPT (0.39) MAPTKDM4EGAALMNAHTT
SCHEMBL31344821 0.76 MAPKAPK2 (0.41) MAPTMAPKAPK2SMN1; SMN2RAB9A
SCHEMBL16199552 0.74 MAPT (0.36) MAPTKDM4EGAALMNAHTT
SCHEMBL16199569 0.74 KMT2A (0.38) MAPTKDM4EGAALMNAHTT
SCHEMBL16199562 0.74 MAPK1 (0.47) MAPTKDM4EGAALMNAHTT

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 7 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-8916652-B2 Multi-armed catechol compound blends KENSEY NASH CORPORATION (US) 2014-12-23 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 2646/4885KDM4E 2328/4885GAA 2155/4885

“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.