SCHEMBL14905359

SCHEMBL14905359

CN(C)/C=C/C(=O)c1cc(Cl)ncc1NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.38
P2RX3 P56373 2/20 0.36
ALDH1A1 P00352 5/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LATS1 O95835 1/20 0.35
MAPT P10636 8/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
AAK1 Q2M2I8 2/20 0.34

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
SCHEMBL14905497 0.86 MAPT (0.36) ATRALDH1A1GAALATS1MAPT
SCHEMBL29764694 0.86 MAPT (0.36) ATRALDH1A1GAALATS1MAPT
SCHEMBL14905357 0.80 ATR (0.44) ATRP2RX3AAK1MAPKAPK2STK17B
SCHEMBL535674 0.80 ATR (0.44) ATRP2RX3KDM4EAAK1MAPKAPK2
SCHEMBL29870494 0.80 ATR (0.44) ATRP2RX3KDM4EAAK1MAPKAPK2
SCHEMBL2770021 0.79 ATR (0.55) ATRP2RX3ALDH1A1KDM4EMAPT
SCHEMBL30083665 0.79 ATR (0.55) ATRP2RX3ALDH1A1KDM4EMAPT
SCHEMBL31219647 0.79 ATR (0.42) ATRP2RX3RAB9AAAK1MAPKAPK2
SCHEMBL16712898 0.78 ATR (0.42) ATRP2RX3AAK1MAPKAPK2STK17B
SCHEMBL16712921 0.77 TRPA1 (0.42) ATRP2RX3KMT2AAAK1MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776436-B1 NEW COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2019-03-13 EP disclosed
US-9757364-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2017-09-12 US disclosed
US-9757364-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2017-09-12 US disclosed
US-20170105978-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2017-04-20 US disclosed
US-20170105978-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2017-04-20 US disclosed
US-9527844-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-12-27 US disclosed
US-9527844-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LIMITED (GB) 2016-12-27 US disclosed
US-20160108034-A1 NAPHTHYRIDINE DERIVATIVE COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2016-04-21 US disclosed
US-9309241-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2016-04-12 US disclosed
US-9309241-B2 Naphthyridine derivative compounds ASTEX THERAPEUTICS LTD (GB) 2016-04-12 US disclosed
US-20150057293-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-26 US disclosed
US-20150057293-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-26 US disclosed
WO-2013061077-A1 NEW COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-02 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-20150057293-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 ATR 3650/4885P2RX3 908/4885ALDH1A1 1226/4885
US-20170105978-A1 NEW COMPOUNDS NQO1, NTPCR, NDC1 ATR 3650/4885P2RX3 908/4885ALDH1A1 1226/4885
US-20160108034-A1 NAPHTHYRIDINE DERIVATIVE COMPOUNDS NQO1, NDC1, NTPCR ATR 3257/4885P2RX3 2107/4885ALDH1A1 1130/4885

“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.