SCHEMBL4492934

SCHEMBL4492934

C[C@@H]1CCC[C@@H](C)N1Nc1nccc(-c2cc3ccccc3s2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.50
CHUK O15111 9/20 0.50
IKBKG Q9Y6K9 9/20 0.50
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
FAAH O00519 6/20 0.43
FGFR1 P11362 1/20 0.39
CYP19A1 P11511 1/20 0.39
KDM1A O60341 1/20 0.38

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
SCHEMBL4492936 1.00 IKBKB (0.50) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL4492941 1.00 IKBKB (0.50) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL4478744 0.73 IKBKB (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL4478740 0.73 IKBKB (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL3472229 0.73 IKBKB (0.54) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL3471384 0.72 KCNH2 (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL13633647 0.71 IKBKB (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL3472274 0.71 IKBKB (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL13633704 0.71 IKBKB (0.48) IKBKBCHUKIKBKGMEN1RECQL
SCHEMBL16200004 0.71 IKBKB (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 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 (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-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK IKBKB 2/4885CHUK 3/4885IKBKG 7/4885

“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.