SCHEMBL12123782

SCHEMBL12123782

N#Cc1ccc(C(=O)CCN2CCOCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
MAPT P10636 6/20 0.68
KMT2A Q03164 5/20 0.68
LMNA P02545 2/20 0.66
MPI P34949 1/20 0.66
CD274 Q9NZQ7 1/20 0.62
THRB P10828 3/20 0.60
TP53 P04637 1/20 0.58
ALDH3A1 P30838 1/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
THRA P10827 2/20 0.57
EGFR P00533 1/20 0.57
HRH1 P35367 2/20 0.51
HRH2 P25021 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
SLC6A4 P31645 1/20 0.51

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
SCHEMBL9512833 0.88 ALDH1A1 (0.84) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123779 0.84 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123789 0.81 ALDH1A1 (0.97) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123771 0.81 ALDH1A1 (0.73) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL7255774 0.81 ALDH1A1 (1.00) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123790 0.81 ALDH1A1 (0.73) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123826 0.81 ALDH1A1 (0.73) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL321369 0.80 ALDH1A1 (1.00) ALDH1A1MAPTKMT2ALMNAMPI
Hydrochloric Acid SCHEMBL7932182 0.79 ALDH1A1 (0.74) ALDH1A1MAPTKMT2ALMNAMPI
Hydrochloric Acid SCHEMBL7929073 0.79 ALDH1A1 (0.74) ALDH1A1MAPTKMT2ALMNAMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
EP-2865381-A1 ITK inhibitors for treating blood cell malignancies Pharmacyclics, Inc. (US) 2015-04-29 EP disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US 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 (4 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885

“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.