SCHEMBL2306874

SCHEMBL2306874

C[C@@H]1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc(C(=O)c3cnccn3)c(F)c2F)C[C@@H](C)O1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SCN9A Q15858 1/20 0.32
MAPK1 P28482 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
TACR1 P25103 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2509678 1.00 LRRK2 (0.34) LRRK2KMT2AMEN1ALDH1A1GAA
SCHEMBL2309302 0.93 LRRK2 (0.33) LRRK2KMT2AMEN1ALDH1A1GAA
SCHEMBL2304904 0.92 SCN9A (0.36) LRRK2KMT2AMEN1ALDH1A1GAA
SCHEMBL2305343 0.89 LRRK2 (0.32) LRRK2KMT2AMEN1ALDH1A1GAA
SCHEMBL2306636 0.89 KMT2A (0.33) LRRK2KMT2AMEN1ALDH1A1GAA
SCHEMBL2506177 0.89 LRRK2 (0.32) LRRK2KMT2AMEN1ALDH1A1GAA
SCHEMBL2307695 0.88 SCN9A (0.35) LRRK2KMT2AMEN1ALDH1A1GAA
SCHEMBL2309407 0.88 NPC1 (0.37) LRRK2KMT2AMEN1ALDH1A1GAA
SCHEMBL2306523 0.88 MEN1 (0.33) LRRK2KMT2AMEN1ALDH1A1GAA
SCHEMBL2505796 0.88 LRRK2 (0.33) LRRK2KMT2AMEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350077-B1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ENTASIS THERAPEUTICS LTD (GB) 2016-01-27 EP disclosed
US-20150368266-A1 CHEMICAL COMPOUNDS 542 ENTASIS THERAPEUTICS INC. 2015-12-24 US disclosed
US-9040528-B2 Chemical compounds 542 ASTRAZENECA AB (SE) 2015-05-26 US disclosed
US-20140128371-A1 CHEMICAL COMPOUNDS 542 ASTRAZENECA AB (SE) 2014-05-08 US disclosed
US-8658641-B2 Fused, spirocyclic heteroaromatic compounds for the treatment of bacterial infections ASTRAZENECA AB (SE) 2014-02-25 US disclosed
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-10-06 US disclosed
EP-2350077-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-08-03 EP disclosed
WO-2010043893-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2010-04-22 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-20150368266-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 LRRK2 3734/4885KMT2A 4283/4885MEN1 488/4885
US-20110245224-A1 FUSED, SPIROCYCLIC HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS SDHB, SDHA, RORC LRRK2 2034/4885KMT2A 3960/4885MEN1 1594/4885
US-20140128371-A1 CHEMICAL COMPOUNDS 542 MRPL21, CFTR, CYP3A43 LRRK2 3734/4885KMT2A 4283/4885MEN1 488/4885

“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.