SCHEMBL4665089

SCHEMBL4665089

NC(=O)c1cc(-c2ccccc2)nc2c(C3CCNCC3)n[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.48
CHUK O15111 3/20 0.48
PARP1 P09874 8/20 0.42
PARP2 Q9UGN5 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
CDC7 O00311 1/20 0.39
CSF1R P07333 1/20 0.39
BTK Q06187 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
JAK2 O60674 2/20 0.38
PLAT P00750 1/20 0.38
CASP1 P29466 1/20 0.38
PRMT5 O14744 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
SCHEMBL4666824 0.83 IKBKB (0.55) IKBKBCHUKPARP1PARP2BTK
SCHEMBL14048420 0.81 IKBKB (0.41) IKBKBCHUKPARP1PARP2BTK
SCHEMBL4663358 0.80 IKBKB (0.43) IKBKBCHUKPARP1PARP2RXFP1
SCHEMBL4663255 0.80 IKBKB (0.65) IKBKBCHUKPARP1CSF1RBTK
SCHEMBL5007717 0.80 HTT (0.48) PARP1
SCHEMBL3391461 0.80 IKBKB (0.64) IKBKBCHUKCSF1RBTK
SCHEMBL5009858 0.79 IKBKB (0.40) IKBKBCHUKPARP1PARP2JAK2
Hydrochloric Acid SCHEMBL3395054 0.79 IKBKB (0.63) IKBKBCHUKCSF1RBTK
SCHEMBL3393266 0.74 MKNK1 (0.53) IKBKBCHUKCDC7CSF1RBTK
Hydrochloric Acid SCHEMBL3395364 0.73 MKNK1 (0.52) IKBKBCHUKCDC7CSF1RBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US claimed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
EP-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 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-20080242685-A1 Chemical Compounds NFKBIA, IKBKG, NFKB2 IKBKB 16/4885CHUK 42/4885PARP1 395/4885

“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.