SCHEMBL5387445

SCHEMBL5387445

CCn1nc(C=O)cc1-c1cccc(C(C)(C)N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.35
BRD9 Q9H8M2 2/20 0.34
SLC16A3 O15427 2/20 0.34
SLC16A1 P53985 2/20 0.34
MCTS1 Q9ULC4 1/20 0.34
DYRK1A Q13627 6/20 0.33
DYRK2 Q92630 6/20 0.33
CDK5 Q00535 5/20 0.33
CDK5R1 Q15078 5/20 0.33
DYRK1B Q9Y463 5/20 0.33
CCNA2 P20248 4/20 0.33
CDK2 P24941 4/20 0.33
CCNT1 O60563 4/20 0.33
CDK9 P50750 4/20 0.33
DYRK3 O43781 3/20 0.33
POLB P06746 1/20 0.33
ADORA2A P29274 1/20 0.32
SLC5A1 P13866 2/20 0.31
ABHD6 Q9BV23 1/20 0.31
FYN P06241 1/20 0.30

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
SCHEMBL5385383 0.83 NMT1 (0.39) NMT1BRD9DYRK1ADYRK2CDK5
SCHEMBL8306100 0.78 SLC5A1 (0.33) BRD9SLC16A3SLC16A1MCTS1DYRK1A
SCHEMBL5406388 0.78 NMT1 (0.37) NMT1BRD9SLC16A3SLC16A1MCTS1
SCHEMBL5392085 0.77 CLK4 (0.40) SLC16A3SLC16A1MCTS1ADORA2A
SCHEMBL14727667 0.75 LRRK2 (0.36) SLC16A3SLC16A1MCTS1DYRK1ADYRK2
SCHEMBL5387443 0.75 FYN (0.38) SLC5A1FYN
SCHEMBL5406375 0.74 HDAC3 (0.37) SLC16A3SLC16A1MCTS1DYRK1ADYRK2
SCHEMBL1661510 0.72 DYRK1A (0.40) BRD9SLC16A3SLC16A1MCTS1DYRK1A
SCHEMBL1660621 0.72 DYRK1A (0.36) SLC16A3SLC16A1MCTS1DYRK1ADYRK2
SCHEMBL5382811 0.71 SLC16A3 (0.40) 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 2 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-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

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 NMT1 1023/4885BRD9 1868/4885SLC16A3 4845/4885

“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.