SCHEMBL12423205

SCHEMBL12423205

O=C(O)c1ccc(-c2ccnc(Nc3ccc(CCO)cc3)n2)s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.52
AKT3 Q9Y243 10/20 0.51
CHUK O15111 2/20 0.49
IKBKG Q9Y6K9 2/20 0.49
DKK1 O94907 1/20 0.45
GSK3B P49841 1/20 0.45
CAMK2D Q13557 2/20 0.44
STAT6 P42226 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42
SRC P12931 1/20 0.42
ZAP70 P43403 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL12423214 0.87 AKT3 (0.55) IKBKBAKT3CHUKIKBKGCAMK2D
SCHEMBL12423209 0.86 AKT3 (0.56) IKBKBAKT3CHUKIKBKGDKK1
SCHEMBL12423200 0.86 AKT3 (0.61) IKBKBAKT3CHUKIKBKGSTAT6
SCHEMBL14100239 0.85 IKBKB (0.47) IKBKBAKT3CHUKIKBKGSYK
SCHEMBL5069822 0.83 IKBKB (0.54) IKBKBAKT3CHUKIKBKGDKK1
SCHEMBL12423220 0.83 AKT3 (0.51) IKBKBAKT3CHUKIKBKGSTAT6
SCHEMBL12423188 0.82 IKBKB (0.47) IKBKBAKT3CHUKIKBKGDKK1
SCHEMBL2195564 0.78 MKNK1 (0.56) IKBKBCHUKIKBKGGSK3BCAMK2D
SCHEMBL12423426 0.78 IKBKB (0.48) IKBKBAKT3CHUKIKBKGDKK1
SCHEMBL5000430 0.77 AKT3 (0.75) IKBKBAKT3CHUKIKBKG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-7977481-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators ARNOLD WILLIAM D 2010-12-02 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
WO-2007053776-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-10 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 (2 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-20100305128-A1 Pyrimidinyl-Thiophene Kinase Modulators MAP3K20, MAP3K6, MAP4K2 IKBKB 553/4885AKT3 340/4885CHUK 164/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 IKBKB 553/4885AKT3 340/4885CHUK 164/4885

“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.