SCHEMBL4663358

SCHEMBL4663358

NC(=O)c1nc(-c2ccccc2)cc2c(C3CCNCC3)n[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.43
CHUK O15111 2/20 0.43
JAK2 O60674 1/20 0.41
MAP2K3 P46734 1/20 0.40
PLAT P00750 1/20 0.38
ACP1 P24666 1/20 0.37
MAPK8 P45983 1/20 0.36
PARP1 P09874 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CDC7 O00311 1/20 0.35
CSF1R P07333 1/20 0.35
BTK Q06187 1/20 0.35
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GSK3A P49840 1/20 0.34

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
SCHEMBL4664952 0.83 IKBKB (0.51) IKBKBCHUKJAK2BTK
SCHEMBL4665089 0.80 IKBKB (0.48) IKBKBCHUKJAK2PLATPARP1
SCHEMBL4664929 0.80 IKBKB (0.65) IKBKBCHUKJAK2CSF1RBTK
SCHEMBL4665016 0.80 HTT (0.48) JAK2
SCHEMBL3391461 0.80 IKBKB (0.64) IKBKBCHUKCSF1RBTK
Hydrochloric Acid SCHEMBL3395054 0.79 IKBKB (0.63) IKBKBCHUKCSF1RBTK
SCHEMBL5009858 0.79 IKBKB (0.40) IKBKBCHUKJAK2PLATPARP1
SCHEMBL4664992 0.78 ALDH1A1 (0.41) JAK2
SCHEMBL3393266 0.72 MKNK1 (0.53) IKBKBCHUKCDC7CSF1RBTK
SCHEMBL3391348 0.72 IKBKB (0.51) IKBKBCHUKPARP1CDC7CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US claimed
EP-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP claimed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO 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 42/4885JAK2 94/4885

“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.