SCHEMBL12423541

SCHEMBL12423541

O=C(c1ccc(Nc2nccc(-c3ccc(Br)s3)n2)cc1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 10/20 0.58
CHUK O15111 10/20 0.58
IKBKG Q9Y6K9 10/20 0.58
PLK4 O00444 1/20 0.55
JAK2 O60674 5/20 0.53
JAK3 P52333 2/20 0.53
HDAC3 O15379 1/20 0.53
NCOR1 O75376 1/20 0.53
JAK1 P23458 1/20 0.53
TYK2 P29597 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
BTK Q06187 1/20 0.53
MEN1 O00255 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
PRKCZ Q05513 1/20 0.52

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
SCHEMBL12423131 0.89 CCNT1 (0.66) IKBKBCHUKIKBKGJAK2BTK
SCHEMBL12423521 0.88 CDK1 (0.60) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL13154283 0.87 IKBKB (0.59) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL12423479 0.86 CCNT1 (0.48) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL12423542 0.85 IKBKB (0.55) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL12423505 0.85 IKBKB (0.55) IKBKBCHUKIKBKGJAK1MEN1
SCHEMBL12423504 0.85 IKBKB (0.72) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL12423525 0.84 IKBKB (0.71) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL12423530 0.83 IKBKB (0.57) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL14500213 0.82 IKBKB (0.57) IKBKBCHUKIKBKGJAK2JAK1

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 8 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

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.