SCHEMBL3097167

SCHEMBL3097167

O=C(O)c1ccc(-c2ccnc(Nc3cccc(Br)c3)n2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.55
CHUK O15111 1/20 0.49
IKBKG Q9Y6K9 1/20 0.49
PIK3CG P48736 4/20 0.49
ABL1 P00519 4/20 0.49
BCR P11274 4/20 0.49
MAPK8 P45983 2/20 0.49
GSK3B P49841 2/20 0.49
CAMKK2 Q96RR4 2/20 0.49
PRKCA P17252 2/20 0.49
CAMK2D Q13557 4/20 0.48
PIK3CA P42336 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDR P35968 1/20 0.46
SRC P12931 3/20 0.44
PIK3CB P42338 1/20 0.44
KDM4E B2RXH2 1/20 0.44
AKT3 Q9Y243 1/20 0.44
PRKD3 O94806 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
SCHEMBL2194717 0.86 ABL1 (0.58) IKBKBCHUKIKBKGPIK3CGABL1
SCHEMBL12423313 0.83 HDAC3 (0.48) IKBKBGSK3BCAMK2DAKT3PRKCQ
SCHEMBL2196638 0.83 HDAC3 (0.48) IKBKBGSK3BCAMK2DAKT3PRKCQ
SCHEMBL12423172 0.83 PIK3CG (0.52) IKBKBPIK3CGABL1BCRPRKCA
SCHEMBL12423686 0.83 IKBKB (0.52) IKBKBCHUKIKBKGPIK3CGABL1
SCHEMBL2195564 0.82 MKNK1 (0.56) IKBKBCHUKIKBKGABL1BCR
SCHEMBL12423317 0.81 ALDH1A1 (0.52) IKBKBRAB9AKDM4EAKT3
SCHEMBL12423316 0.80 AKT3 (0.60) ABL1BCRPRKCACAMK2DAKT3
SCHEMBL12423133 0.80 IKBKB (0.70) IKBKBCHUKIKBKGPIK3CGABL1
SCHEMBL3104286 0.79 JAK2 (0.63) MAPK8GSK3BCAMK2DKDRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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.