SCHEMBL4665017

SCHEMBL4665017

NC(=O)c1nc(-c2ccccc2)nc2c(C3CCNCC3)c[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.54
CHUK O15111 3/20 0.54
PIK3CA P42336 2/20 0.48
MTOR P42345 2/20 0.48
CSF1R P07333 1/20 0.41
BTK Q06187 1/20 0.41
GABRA1 P14867 4/20 0.41
GABRB2 P47870 4/20 0.41
HTR1F P30939 3/20 0.41
PARP1 P09874 1/20 0.38
ADRB2 P07550 1/20 0.38
HTR2C P28335 1/20 0.38
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL4663282 0.84 HTR2B (0.44) IKBKBCHUKPIK3CAMTORHTR1F
SCHEMBL4665025 0.82 IKBKB (0.60) IKBKBCHUKPIK3CAMTORBTK
SCHEMBL5009858 0.80 IKBKB (0.40) IKBKBCHUKPIK3CAGABRA1GABRB2
SCHEMBL4663255 0.79 IKBKB (0.65) IKBKBCHUKPIK3CAMTORCSF1R
SCHEMBL4664929 0.79 IKBKB (0.65) IKBKBCHUKCSF1RBTKADRB2
SCHEMBL3796938 0.70 IKBKB (1.00) IKBKBCHUKCSF1RBTK
SCHEMBL4688449 0.70 IKBKB (0.98) IKBKBCHUKCSF1RBTK
SCHEMBL17092148 0.70 PLAT (0.41) IKBKBCHUKBTKGABRA1GABRB2
SCHEMBL300814 0.69 IKBKB (0.47) IKBKBCHUKCSNK2A1
SCHEMBL4686015 0.67 IKBKB (0.92) IKBKBCHUKCSF1RBTK

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 8 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
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 42/4885PIK3CA 319/4885

“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.