Sugi Predict

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SCHEMBL5406375

SCHEMBL5406375

CCn1nc(CCc2ccc(F)cc2)cc1-c1cccc(C(C)(C)N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.37
▸ HDAC4 P56524 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC10 Q969S8 2/20 0.37
▸ HDAC11 Q96DB2 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ NCOR2 Q9Y618 2/20 0.37
▸ MAOB P27338 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ SLC16A3 O15427 2/20 0.36
▸ SLC16A1 P53985 2/20 0.36
▸ MCTS1 Q9ULC4 2/20 0.36
▸ FYN P06241 2/20 0.35
▸ DYRK1A Q13627 5/20 0.35
▸ DYRK2 Q92630 5/20 0.35

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
SCHEMBL5382811 0.84 SLC16A3 (0.40) SLC16A3SLC16A1MCTS1
SCHEMBL1660621 0.80 DYRK1A (0.36) SLC16A3SLC16A1MCTS1DYRK1ADYRK2
SCHEMBL5394734 0.79 CYP11B1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5406662 0.78 GPR52 (0.46) HDAC6CNR2SLC16A3SLC16A1MCTS1
SCHEMBL5393508 0.78 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5382364 0.78 GRM5 (0.39) SLC16A3SLC16A1MCTS1FYNDYRK1A
SCHEMBL5398081 0.76 NMT1 (0.39) MAOBCNR2POLB
SCHEMBL5406388 0.74 NMT1 (0.37) SLC16A3SLC16A1MCTS1FYNDYRK1A
SCHEMBL5387445 0.74 NMT1 (0.35) SLC16A3SLC16A1MCTS1FYNDYRK1A
SCHEMBL14727667 0.71 LRRK2 (0.36) SLC16A3SLC16A1MCTS1DYRK1ADYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271191-B2 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of Alzheimer's disease MERCK SHARP & DOHME LTD. (GB) 2007-09-18 — — US disclosed
US-7271191-B2 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of Alzheimer's disease MERCK SHARP & DOHME LTD. (GB) 2007-09-18 — — US disclosed
US-7271191-B2 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of Alzheimer's disease MERCK SHARP & DOHME LTD. (GB) 2007-09-18 — — US disclosed
US-20060264474-A1 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of alzheimer's disease MERCK SHARP & DOHME LTD. (GB) 2006-11-23 — — US disclosed
WO-2004089911-A1 PYRAZOLE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS USEFUL IN THE TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2004-10-21 — — 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 (1 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-20060264474-A1 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of alzheimer's disease BACE1, BACE2, PSEN1 HDAC3 933/4885HDAC4 1509/4885HDAC1 289/4885

“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.