SCHEMBL2279029

SCHEMBL2279029

COc1ccc(Cn2cc(-c3nc(Nc4ccccn4)cs3)c(C(F)(F)F)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR7 Q9NYK1 1/20 0.38
DGAT1 O75907 1/20 0.36
ACP1 P24666 1/20 0.36
KLKB1 P03952 7/20 0.36
CYP19A1 P11511 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 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
SCHEMBL3354574 0.86 NPC1 (0.56) MAPTMEN1NPC1NFKB1MAPK1
SCHEMBL2275225 0.80 RAB9A (0.47) MAPTMEN1NPC1NFKB1MAPK1
SCHEMBL2535401 0.75 NPC1 (0.60) MAPTMEN1NPC1NFKB1MAPK1
SCHEMBL3354435 0.73 NPC1 (0.58) MAPTMEN1NPC1NFKB1MAPK1
SCHEMBL1047683 0.73 DGAT1 (0.36) MAPTDGAT1KLKB1CYP19A1KDM4C
SCHEMBL2510097 0.72 NPC1 (0.56) MAPTMEN1NPC1NFKB1MAPK1
SCHEMBL2529547 0.71 NPC1 (0.56) MAPTMEN1NPC1NFKB1MAPK1
SCHEMBL3357298 0.71 MEN1 (0.43) MAPTMEN1NPC1NFKB1MAPK1
SCHEMBL2270225 0.70 GRM4 (0.40) MAPTMEN1NPC1NFKB1MAPK1
SCHEMBL3353129 0.68 NPC1 (0.56) MAPTMEN1NPC1NFKB1MAPK1

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-8604033-B2 Preparation of 4-amino-thiazoles and 3-amino-1,2,4-thiadiazoles and their use as allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-12-10 US disclosed
US-20120316188-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2012-12-13 US disclosed
EP-2523953-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2012-11-21 EP disclosed
WO-2011086163-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-07-21 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-20120316188-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM2 MAPT 1176/4885MEN1 3969/4885NPC1 2273/4885

“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.