Sugi Predict

Sugi Predict / Compounds / SCHEMBL12123771

SCHEMBL12123771

SCHEMBL12123771

O=C(CCN1CCOCC1)c1ccc(F)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.73
▸ MAPT P10636 6/20 0.73
▸ KMT2A Q03164 5/20 0.73
▸ LMNA P02545 2/20 0.71
▸ MPI P34949 1/20 0.71
▸ ATM Q13315 1/20 0.63
▸ HTR1A P08908 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ ALDH3A1 P30838 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ THRB P10828 3/20 0.60
▸ THRA P10827 2/20 0.60
▸ CD274 Q9NZQ7 1/20 0.59

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
Hydrochloric Acid SCHEMBL7929073 0.98 ALDH1A1 (0.74) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL9512833 0.92 ALDH1A1 (0.84) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL16986158 0.91 TSHR (0.70) ALDH1A1MAPTKMT2AHTR1ATP53
Hydrochloric Acid SCHEMBL16986155 0.90 TSHR (0.72) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL7350313 0.85 ALDH1A1 (0.68) ALDH1A1MAPTKMT2ALMNAHTR1A
SCHEMBL12123789 0.84 ALDH1A1 (0.97) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL7255774 0.84 ALDH1A1 (1.00) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123790 0.84 ALDH1A1 (0.73) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL12123826 0.84 ALDH1A1 (0.73) ALDH1A1MAPTKMT2ALMNAMPI
SCHEMBL14385068 0.84 ALDH1A1 (0.63) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200368235-A1 IBRUTINIB COMBINATION THERAPY PHARMACYCLICS LLC (US) 2020-11-26 — — US disclosed
US-20190144451-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS LLC 2019-05-16 — — US disclosed
US-20180037583-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS LLC (US) 2018-02-08 — — US disclosed
US-9637487-B2 Purinone compounds as kinase inhibitors PHARMACYCLICS LLC (US) 2017-05-02 — — US disclosed
US-20160287592-A1 IBRUTINIB COMBINATION THERAPY PHARMACYCLICS, INC. 2016-10-06 — — US disclosed
US-20160168149-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS LLC 2016-06-16 — — US disclosed
WO-2016010926-A1 BTK INHIBITORS FOR THE TREATMENT OF CNS MALIGNANCIES PHARMACYCLICS LLC (US) 2016-01-21 — — WO disclosed
US-20160008366-A1 BTK INHIBITORS FOR THE TREATMENT OF CNS MALIGNANCIES PHARMACYCLICS LLC 2016-01-14 — — US disclosed
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
WO-2015002894-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2015-01-08 — — WO disclosed
WO-2014168975-A1 IBRUTINIB COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2014-10-16 — — WO 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 (10 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-20180037583-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 ALDH1A1 3729/4885MAPT 4542/4885KMT2A 1923/4885
US-20160008366-A1 BTK INHIBITORS FOR THE TREATMENT OF CNS MALIGNANCIES BTK, SYK, ABL1 ALDH1A1 4650/4885MAPT 1817/4885KMT2A 100/4885
US-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20190144451-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 ALDH1A1 3729/4885MAPT 4542/4885KMT2A 1923/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20160168149-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 ALDH1A1 3729/4885MAPT 4542/4885KMT2A 1923/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20160287592-A1 IBRUTINIB COMBINATION THERAPY BTK, SYK, LYN ALDH1A1 3033/4885MAPT 4594/4885KMT2A 1124/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20200368235-A1 IBRUTINIB COMBINATION THERAPY BTK, SYK, LYN ALDH1A1 3033/4885MAPT 4594/4885KMT2A 1124/4885

“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.