SCHEMBL5022826

SCHEMBL5022826

CC(C)c1cccc(CNC2CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ BACE1 P56817 7/20 0.48
▸ CTSD P07339 5/20 0.48
▸ ACHE P22303 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ CARM1 Q86X55 4/20 0.43
▸ PRMT6 Q96LA8 4/20 0.43
▸ PRMT8 Q9NR22 1/20 0.43

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
SCHEMBL19008147 0.94 ALDH1A1 (0.47) ALDH1A1BACE1CTSDACHEPOLB
SCHEMBL19008153 0.94 ALDH1A1 (0.56) ALDH1A1BACE1CTSDACHEPOLB
SCHEMBL18626538 0.94 ALDH1A1 (0.60) ALDH1A1BACE1CTSDACHEPOLB
SCHEMBL19008156 0.93 ALDH1A1 (0.46) ALDH1A1BACE1CTSDACHEPOLB
SCHEMBL19008149 0.90 ALDH1A1 (0.46) ALDH1A1BACE1CTSDACHEPOLB
SCHEMBL19008152 0.86 BACE1 (0.52) ALDH1A1BACE1CTSD
SCHEMBL19008166 0.84 BACE1 (0.47) ALDH1A1BACE1CTSDCARM1PRMT6
SCHEMBL19008157 0.83 DRD4 (0.49) ALDH1A1BACE1CTSDACHECARM1
SCHEMBL18626550 0.79 MEN1 (0.54) ALDH1A1MEN1KMT2A
SCHEMBL16980401 0.79 RAB9A (0.53) POLBMEN1RAB9AKMT2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-12-29 — — US disclosed
WO-2021055936-A1 SMALL-MOLECULE INHIBITORS FOR THE Β-CATENIN/B-CELL LYMPHOMA 9 PROTEIN−PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-03-25 — — WO disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 — — US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 — — US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 — — US disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 — — 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 (2 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-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 ALDH1A1 4531/4885BACE1 1434/4885CTSD 1604/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR ALDH1A1 586/4885BACE1 3929/4885CTSD 3865/4885

“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.

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