SCHEMBL12123762

SCHEMBL12123762

COc1cc2c(cc1OC)CN(CCC(=O)c1ccc3ccccc3c1)CC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.74
MAPT P10636 2/20 0.74
KMT2A Q03164 2/20 0.74
LMNA P02545 1/20 0.74
HTT P42858 1/20 0.74
GFER P55789 1/20 0.74
KDM4E B2RXH2 1/20 0.71
MEN1 O00255 1/20 0.71
ABCB1 P08183 2/20 0.66
ABCG2 Q9UNQ0 1/20 0.66
HTR1A P08908 2/20 0.62
DRD2 P14416 3/20 0.62
DRD3 P35462 3/20 0.62
DRD1 P21728 1/20 0.62
DRD4 P21917 1/20 0.62
POLB P06746 1/20 0.58
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR7 P34969 1/20 0.54
HRH1 P35367 1/20 0.54

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
SCHEMBL12123654 0.85 ALDH1A1 (0.66) ALDH1A1MAPTLMNAHTTHTR1A
SCHEMBL14722808 0.82 DRD3 (0.90) KMT2ALMNAMEN1ABCB1ABCG2
SCHEMBL8812802 0.80 ABCG2 (1.00) ABCB1ABCG2
SCHEMBL12123761 0.78 ALDH1A1 (0.62) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL8809186 0.78 ABCG2 (0.78) ABCB1ABCG2DRD2DRD3DRD1
SCHEMBL8808167 0.77 ABCG2 (0.88) ABCB1ABCG2DRD2DRD3DRD1
SCHEMBL2799283 0.77 MAPT (0.66) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL12123652 0.77 HTR1A (0.69) ALDH1A1KDM4EHTR1ADRD3POLB
SCHEMBL7650883 0.77 KMT2A (0.69) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL22638771 0.77 ALDH1A1 (0.57) ALDH1A1MAPTKMT2ALMNAHTT

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 10 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
WO-2007136790-A2 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2007-11-29 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 (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.