SCHEMBL1655461

SCHEMBL1655461

CNC(=O)c1ccccc1OC(F)F

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
ALDH1A1 P00352 7/20 0.54
HTT P42858 7/20 0.54
LMNA P02545 6/20 0.54
ALPL P05186 1/20 0.54
KAT2B Q92831 1/20 0.54
BAZ2B Q9UIF8 1/20 0.54
GAA P10253 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 4/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 1/20 0.50
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
PLK1 P53350 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL9963200 0.84 IRAK4 (0.64) ALDH1A1LMNAKAT2BBAZ2BGAA
SCHEMBL22987538 0.83 CTSD (0.62) SMN1; SMN2ALDH1A1HTTLMNAALPL
SCHEMBL29646356 0.83 CTSD (0.62) SMN1; SMN2ALDH1A1HTTLMNAALPL
SCHEMBL16618453 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HTTLMNAALPL
SCHEMBL17206370 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HTTLMNAALPL
SCHEMBL1856862 0.81 SLC6A3 (0.56) SMN1; SMN2ALDH1A1HTTLMNAALPL
SCHEMBL1286684 0.80 IRAK4 (0.53) SMN1; SMN2ALDH1A1HTTLMNAALPL
SCHEMBL11212937 0.80 HTT (0.49) SMN1; SMN2ALDH1A1HTTLMNAALPL
SCHEMBL2646539 0.80 KAT2B (0.57) SMN1; SMN2KAT2BBAZ2BGAANPC1
SCHEMBL7860488 0.79 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1HTTLMNAALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011512395-A 2011-04-21 JP claimed
EP-2262504-A1 COMBINATION THERAPY 238 AstraZeneca AB (SE) 2010-12-22 EP claimed
WO-2009104019-A1 COMBINATION THERAPY 238 ASTRAZENECA AB (SE) 2009-08-27 WO claimed
US-9102670-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2015-08-11 US disclosed
US-20140135315-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2014-05-15 US disclosed
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 US disclosed
US-8435985-B2 Pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as mTOR inhibitors MENEAR KEITH (GB) 2013-05-07 US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 US disclosed
EP-2217234-A2 COMBINATIONS OF MEK INHIBITORS WITH MTOR INHIBITORS AstraZeneca AB (SE) 2010-08-18 EP disclosed
CN-101558067-A 2-methylmorpholine pyrido-, pyrazo- and pyrimido-pyrimidine derivatives as MTOR inhibitors KUDOS PHARM LTD (GB) 2009-10-14 CN disclosed
WO-2009050506-A2 COMBINATION 059 ASTRAZENECA AB (SE) 2009-04-23 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 SMN1; SMN2 3788/4885ALDH1A1 2203/4885HTT 2231/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 SMN1; SMN2 3788/4885ALDH1A1 2203/4885HTT 2231/4885
US-20140135315-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors MTOR, RICTOR, RPTOR SMN1; SMN2 2237/4885ALDH1A1 1475/4885HTT 4119/4885

“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.