SCHEMBL5237983

SCHEMBL5237983

NC(=O)c1nnc(N)c2cc(-c3ccc(F)cc3)sc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.51
CHUK O15111 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
JAK2 O60674 7/20 0.44
MEN1 O00255 1/20 0.44
EIF2AK2 P19525 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CHEK1 O14757 2/20 0.44
JAK1 P23458 5/20 0.42
TYK2 P29597 5/20 0.42
JAK3 P52333 5/20 0.42
LRRK2 Q5S007 1/20 0.40
KIT P10721 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL12832077 0.89 MAP4K4 (0.44) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL6401995 0.86 JAK2 (0.51) IKBKBCYP1A2CYP3A4CYP2C9JAK2
SCHEMBL6068500 0.78 CHEK1 (0.47) IKBKBCHUKJAK2CHEK1JAK1
SCHEMBL5463483 0.78 JAK2 (0.65) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL29012217 0.77 CHEK1 (0.42) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL6068379 0.77 JAK2 (0.52) IKBKBCYP1A2CYP3A4CYP2C9JAK2
SCHEMBL1496088 0.77 CHEK1 (0.45) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL8834591 0.77 IKBKB (0.39) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL27768306 0.77 IKBKB (0.39) IKBKBCHUKCYP1A2CYP3A4CYP2C9
SCHEMBL5239521 0.76 IKBKB (0.48) IKBKBCHUKCYP1A2CYP3A4CYP2C9

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
CN-1950378-A Thienopyridazines as ikk inhibitors ROCHE PALO ALTO LLC (CH) 2007-04-18 CN disclosed
EP-1745051-A1 THIENOPYRIDAZINES AS IKK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-24 EP disclosed
US-7135470-B2 Thienopyridazines as IKK inhibitors ROCHE PALO ALTO LLC (US) 2006-11-14 US disclosed
US-20050272730-A1 Thienopyridazines as IKK inhibitors ROCHE PALO ALTO LLC 2005-12-08 US disclosed
WO-2005105808-A1 THIENOPYRIDAZINES AS IKK INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2005-11-10 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 (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-20050272730-A1 Thienopyridazines as IKK inhibitors IKBKE, IKBKB, NFKBIA IKBKB 2/4885CHUK 4/4885CYP1A2 932/4885

“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.