SCHEMBL5382811

SCHEMBL5382811

CCn1nc(COc2ccc(F)cc2)cc1-c1cccc(C(C)(C)N)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 4/20 0.40
SLC16A1 P53985 4/20 0.40
MCTS1 Q9ULC4 2/20 0.40
GRM5 P41594 5/20 0.39
GRM3 Q14832 3/20 0.39

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
SCHEMBL1660621 0.84 DYRK1A (0.36) SLC16A3SLC16A1MCTS1
SCHEMBL5406375 0.84 HDAC3 (0.37) SLC16A3SLC16A1MCTS1
SCHEMBL5387429 0.81 PTGS1 (0.45) SLC16A3SLC16A1MCTS1GRM5GRM3
SCHEMBL5382364 0.81 GRM5 (0.39) SLC16A3SLC16A1MCTS1GRM5
SCHEMBL14415512 0.80 GRM5 (0.40) GRM5GRM3
SCHEMBL5396403 0.77 SLC16A3 (0.37) SLC16A3SLC16A1MCTS1GRM5GRM3
SCHEMBL1661510 0.75 DYRK1A (0.40) SLC16A3SLC16A1MCTS1
SCHEMBL1659820 0.75 GPR55 (0.34)
SCHEMBL14727667 0.73 LRRK2 (0.36) SLC16A3SLC16A1MCTS1
SCHEMBL5406662 0.73 GPR52 (0.46) SLC16A3SLC16A1MCTS1

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 4 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-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 SLC16A3 4845/4885SLC16A1 4830/4885MCTS1 4710/4885

“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.