SCHEMBL2196232

SCHEMBL2196232

CN(C)CCN1CCN(C(=O)c2ccc(Nc3nccc(-c4ccc(Br)s4)n3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.54
CHUK O15111 12/20 0.54
IKBKG Q9Y6K9 12/20 0.54
SYK P43405 2/20 0.53
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
PRKCZ Q05513 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CDK1 P06493 2/20 0.47
CDK2 P24941 2/20 0.47
JAK1 P23458 1/20 0.45
PTK2 Q05397 1/20 0.44
KDR P35968 1/20 0.44
AURKA O14965 1/20 0.43

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
SCHEMBL12423486 0.90 SYK (0.56) IKBKBCHUKIKBKGSYKMEN1
SCHEMBL12423505 0.89 IKBKB (0.55) IKBKBCHUKIKBKGSYKMEN1
SCHEMBL12423542 0.88 IKBKB (0.55) IKBKBCHUKIKBKGSYKMEN1
SCHEMBL12423485 0.88 SYK (0.53) IKBKBCHUKIKBKGSYK
SCHEMBL12423521 0.87 CDK1 (0.60) IKBKBCHUKIKBKGSYKMEN1
SCHEMBL12423516 0.85 IKBKB (0.51) IKBKBCHUKIKBKGSYKMEN1
SCHEMBL14021306 0.82 SYK (0.54) IKBKBCHUKIKBKGSYKCDK1
SCHEMBL12423527 0.82 IKBKB (0.66) IKBKBCHUKIKBKGSYKMEN1
SCHEMBL12423541 0.82 IKBKB (0.58) IKBKBCHUKIKBKGSYKMEN1
SCHEMBL13154283 0.80 IKBKB (0.59) IKBKBCHUKIKBKGMEN1RECQL

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 15 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-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-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-7803806-B2 Pyrimidinyl-thiophene kinase modulators SGX PHARMACEUTICALS, INC. (US) 2010-09-28 US disclosed
EP-1948647-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-07-30 EP 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
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
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 553/4885CHUK 164/4885IKBKG 814/4885
US-20070117800-A1 PYRIMIDINYL-THIOPHENE KINASE MODULATORS MAP3K20, MAP3K6, MAP4K2 IKBKB 553/4885CHUK 164/4885IKBKG 814/4885

“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.