SCHEMBL5259735

SCHEMBL5259735

Cc1cccc(Nc2nc(Nc3ccc(C(=O)NCCN4CCCC4)cc3)ncc2Br)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.51
BRD4 O60885 3/20 0.51
JAK1 P23458 3/20 0.51
HDAC1 Q13547 3/20 0.51
JAK2 O60674 1/20 0.51
RET P07949 1/20 0.51
TYK2 P29597 1/20 0.51
FLT3 P36888 1/20 0.51
JAK3 P52333 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
SRC P12931 1/20 0.49
AURKA O14965 2/20 0.49
AURKB Q96GD4 2/20 0.49
IGF1R P08069 5/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
IKBKG Q9Y6K9 1/20 0.48

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
SCHEMBL5259759 0.88 BRAF (0.55) BRAFBRD4JAK1HDAC1JAK2
SCHEMBL5261586 0.85 IGF1R (0.48) HDAC1HDAC6AURKAAURKBIGF1R
SCHEMBL5260652 0.83 TBK1 (0.61) BRAFBRD4JAK1HDAC1JAK2
SCHEMBL5263041 0.82 ALDH1A1 (0.54) IGF1R
SCHEMBL5260385 0.81 BRAF (0.51) BRAFBRD4JAK1HDAC1JAK2
SCHEMBL6949387 0.79 IGF1R (0.50) IGF1RGSK3B
SCHEMBL5997421 0.75 SRC (0.57) BRAFBRD4JAK1HDAC1JAK2
SCHEMBL2497661 0.73 BRAF (0.60) BRAFFLT3SRCIKBKBCHUK
SCHEMBL5999296 0.71 KIT (0.54) BRAFSRCIKBKBCHUKIKBKG
SCHEMBL5996926 0.71 LCK (0.61) BRAFJAK1SRCAURKAAURKB

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-1268444-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2007-01-17 EP claimed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US claimed
US-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-08-07 US claimed

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-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 BRAF 83/4885BRD4 1094/4885JAK1 61/4885

“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.