SCHEMBL4663282

SCHEMBL4663282

NC(=O)c1nc(-c2ccccc2)nc2c(C3CCN(C(=O)c4ccccc4)CC3)c[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
LMNA P02545 1/20 0.41
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC9A1 P19634 2/20 0.40
IKBKB O14920 2/20 0.40
CHUK O15111 2/20 0.40
ACHE P22303 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL4665017 0.84 IKBKB (0.54) PIK3CAMTORIKBKBCHUKHTR1F
SCHEMBL4666771 0.82 JAK2 (0.52) HTR2BACACBACACANOS3NOS1
SCHEMBL4663350 0.82 ACACB (0.51) HTR2BACACBACACANOS3NOS1
SCHEMBL14048423 0.70 SMN1; SMN2 (0.43) HTR2BMEN1KMT2ASMN1; SMN2ACACB
SCHEMBL16801703 0.69 KDM4E (0.72) HTR2BMEN1KMT2ANOS3NOS1
SCHEMBL5009877 0.68 HPGDS (0.49) MEN1KMT2A
SCHEMBL1720512 0.68 MEN1 (0.53) HTR2BMEN1KMT2AACACBACACA
SCHEMBL5011762 0.67 IKBKB (0.48) MEN1KMT2AL3MBTL1IKBKBCHUK
SCHEMBL4664932 0.66 IKBKB (0.70) IKBKBCHUK
SCHEMBL27484616 0.66 MEN1 (0.68) MEN1KMT2ALMNAL3MBTL3L3MBTL1

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 HTR2B 2894/4885MEN1 4114/4885KMT2A 289/4885

“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.