SCHEMBL12220035

SCHEMBL12220035

O=C(Nc1cccc2c(=O)cc(-c3ccccc3N3CCOCC3)oc12)c1cscn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.52
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ GPR35 Q9HC97 2/20 0.43
▸ GRM1 Q13255 1/20 0.42
▸ SCN9A Q15858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ PRKDC P78527 3/20 0.41

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
SCHEMBL12220020 0.86 CYP1A1 (0.45) PIM1IRAK4POLBCYP1A2CYP3A4
SCHEMBL12220001 0.85 CYP1A1 (0.54) PIM1IRAK4CYP1A2GPR35PRKDC
SCHEMBL12220125 0.83 MAPT (0.52) PIM1CYP1A2GPR35GRM1MEN1
SCHEMBL12220086 0.82 GPR35 (0.48) PIM1ALDH1A1GPR35GRM1KDM4E
SCHEMBL12220021 0.82 GPR35 (0.48) PIM1GPR35GRM1MEN1KMT2A
SCHEMBL12220116 0.82 GPR35 (0.48) PIM1CYP1A2GPR35GRM1SMN1; SMN2
SCHEMBL12220128 0.82 GPR35 (0.46) PIM1GPR35GRM1MEN1KMT2A
SCHEMBL12220135 0.81 GPR35 (0.48) GPR35GRM1GPR55
SCHEMBL12219989 0.80 GPR35 (0.53) PIM1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2148964 0.80 GPR35 (0.46) PIM1ALDH1A1NPSR1TSHRGPR35

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-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 — — US disclosed
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 — — US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 — — US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 — — US disclosed
EP-2342188-B1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 — — EP disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 — — US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 — — US disclosed
WO-2010037127-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-04-01 — — 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 (2 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-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM1 3173/4885IRAK4 2130/4885POLB 2217/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM1 3204/4885IRAK4 2339/4885POLB 2711/4885

“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.

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