SCHEMBL16199534

SCHEMBL16199534

N#Cc1ccc2c(c1)OCCOCCOCCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
LMNA P02545 5/20 0.53
HTT P42858 3/20 0.53
BLM P54132 1/20 0.53
KDM4E B2RXH2 3/20 0.52
GAA P10253 1/20 0.52
PKM P14618 2/20 0.50
PKLR P30613 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GSK3A P49840 1/20 0.43

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
SCHEMBL943860 0.94 PKM (0.54) MAPTLMNAHTTBLMKDM4E
SCHEMBL30300332 0.82 MAPT (0.51) MAPTHTTKDM4EPKMPKLR
SCHEMBL140150 0.82 MAPT (0.51) MAPTHTTKDM4EPKMPKLR
SCHEMBL17365209 0.81 MAPT (0.53) MAPTLMNAHTTBLMKDM4E
SCHEMBL31399387 0.81 MAPT (0.53) MAPTLMNAHTTBLMKDM4E
SCHEMBL11618347 0.80 PKM (0.45) MAPTPKMPKLRSMN1; SMN2ALDH1A1
SCHEMBL23658037 0.78 MAPT (0.53) MAPTLMNAHTTBLMKDM4E
SCHEMBL10300112 0.75 ACACB (0.52) MAPTLMNAHTTBLMKDM4E
SCHEMBL31633231 0.75 MAPT (0.45) MAPTLMNAHTTBLMKDM4E
Ammonia Solution, Strong SCHEMBL3942500 0.74 MAPT (0.46) MAPTHTTKDM4EPKMPKLR

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
WO-2021017996-A1 PHENYLPIPERAZINE QUINAZOLINE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 暨南大学 2021-02-04 WO disclosed
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 2646/4885LMNA 2830/4885HTT 1368/4885

“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.