SCHEMBL4089884

SCHEMBL4089884

O=C(Nc1cccnc1)c1ccc2ccsc2c1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.81
CYP11B1 P15538 4/20 0.59
CYP11B2 P19099 4/20 0.59
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 4/20 0.57
HIF1A Q16665 1/20 0.57
KDM1A O60341 1/20 0.56
RCOR1 Q9UKL0 1/20 0.56
NPC1 O15118 2/20 0.55
SIRT2 Q8IXJ6 1/20 0.55
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL3017773 0.77 CYP11B1 (0.63) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL30533390 0.77 LMNA (0.81) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL13095736 0.75 CYP11B1 (0.68) NAMPTCYP11B1CYP11B2TP53CYP1A2
Hydrochloric Acid SCHEMBL4079710 0.75 RAB9A (0.69) LMNANPC1SIRT2RAB9A
SCHEMBL7405091 0.74 RAB9A (0.78) TP53LMNANPC1GAARAB9A
SCHEMBL5214172 0.74 CSF1R (0.83) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL1571386 0.74 LMNA (1.00) NAMPTCYP11B1CYP11B2LMNAHIF1A
SCHEMBL3642636 0.73 NAMPT (0.81) NAMPTCYP11B1CYP11B2TP53LMNA
SCHEMBL5435462 0.73 NAMPT (0.76) NAMPTCYP11B1CYP11B2TP53LMNA
SCHEMBL14082904 0.73 NAMPT (0.67) NAMPTCYP11B1CYP11B2TP53LMNA

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-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 US disclosed
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 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-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG NAMPT 1183/4885CYP11B1 947/4885CYP11B2 1300/4885

“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.