SCHEMBL4753920

SCHEMBL4753920

NC(=O)n1nc(N=Cc2ccccc2Cl)c2s[c]nc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
KDR P35968 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
SCHEMBL3501106 0.70 POLB (0.36) ALDH1A1LMNANPC1RAB9APOLB
SCHEMBL5577963 0.67 GPBAR1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL4752791 0.66
SCHEMBL5578043 0.65
SCHEMBL4753950 0.61 CA1 (0.41) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL10090711 0.60 ALDH1A1 (0.68) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL3447291 0.59 ALDH1A1 (0.51) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL3447288 0.59 ALDH1A1 (0.51) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL10743473 0.58 SIRT2 (0.50) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL10743476 0.58 SIRT2 (0.50) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966222-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 GRIN1 1525/4885GRIN2B 2022/4885GRIN2D 2616/4885

“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.