SCHEMBL3064265

SCHEMBL3064265

CN(c1ccccn1)c1nc(CN(C(=O)C(C)(C)C)c2ccc(F)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
GRM1 Q13255 9/20 0.42
GRIA1 P42261 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
CXCR2 P25025 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PDK1 Q15118 1/20 0.33

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
SCHEMBL3058858 0.87 MEN1 (0.44) POLBGRM1GRIA1MEN1KMT2A
SCHEMBL3063760 0.87 GRM1 (0.37) GRM1MEN1KMT2AMAPTCYP3A4
SCHEMBL3068075 0.84 MAPT (0.35) GRM1MEN1KMT2AMAPTCYP3A4
SCHEMBL3055945 0.83 MEN1 (0.41) GRM1MEN1KMT2AMAPTCYP3A4
SCHEMBL8173447 0.83 NPC1 (0.42) GRM1GRIA1MEN1KMT2AMAPT
SCHEMBL3059140 0.82 MEN1 (0.45) POLBGRM1MEN1KMT2AMAPT
SCHEMBL3060134 0.81 POLB (0.36) POLBGRM1GRIA1MEN1KMT2A
SCHEMBL3068329 0.81 GRIN2A (0.39) GRM1MAPT
SCHEMBL3059269 0.80 KMT2A (0.42) POLBGRM1MEN1KMT2AMAPT
SCHEMBL3065115 0.79 GRIN1 (0.42) GRM1

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-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S POLB 4856/4885GRM1 230/4885GRIA1 234/4885

“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.